SCHEMBL95531

SCHEMBL95531

CNc1cccc([C]=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTPN11 Q06124 1/20 0.37
BRD4 O60885 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNA5 P22460 1/20 0.35
GAA P10253 2/20 0.34
APP P05067 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30460228 0.78 EGFR (0.43) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL2892636 0.78 EGFR (0.43) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL361389 0.78 MAPT (0.53) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL8724146 0.78 MAPT (0.43) MAPTMEN1KMT2AALDH1A1PTPN11
SCHEMBL5538032 0.78 MAPT (0.38) MAPTMEN1KMT2AALDH1A1PTPN11
SCHEMBL10680071 0.77 MEN1 (0.55) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL2884609 0.77 TSHR (0.41) TSHRMAPTALDH1A1PTPN11APP
Hydrochloric Acid SCHEMBL27475007 0.77 MAPT (0.51) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2320179 0.77 ALDH1A1 (0.60) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL3052046 0.76 KEAP1 (0.53) ALDH1A1BRD4NPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102174035-A Aromatic dihydrazide type PLK1 (Polo-like Kinase 1) inhibitor and applications thereof UNIV CHINA PHARMA 2011-09-07 CN claimed
EP-1369424-B1 Method for purifying protected 2'-deoxycytidines MITSUI CHEMICALS INC (JP) 2007-08-15 EP claimed
CN-1261098-C Inhibitors of p 38-alpha kinase SCIOS INC (US) 2006-06-28 CN claimed
JP-2002523448-A 2002-07-30 JP claimed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
CN-1323209-A Use of piperidines and/or piperazines as inhibitors of p38-alpha kinase SCIOS INC (US) 2001-11-21 CN claimed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 WO claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-102174035-B Aromatic dihydrazide type PLK1 (Polo-like Kinase 1) inhibitor and applications thereof UNIV CHINA PHARMA 2015-01-07 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed