SCHEMBL5206809

SCHEMBL5206809

Cc1ccc(-c2ccc(C=CC(=O)O)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
RXRA P19793 1/20 0.41
MEN1 O00255 2/20 0.40
ESRRG P62508 1/20 0.40
NPC1 O15118 1/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39

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
SCHEMBL5206802 1.00 KMT2A (0.51) KMT2AMAPK1HSD17B1HSD17B2LMNA
SCHEMBL11658442 0.85 KMT2A (0.51) KMT2AMAPK1HSD17B1HSD17B2ALDH1A1
SCHEMBL11658444 0.85 KMT2A (0.51) KMT2AMAPK1HSD17B1HSD17B2ALDH1A1
SCHEMBL3173924 0.84 KMT2A (0.47) KMT2AMAPK1HSD17B1HSD17B2MAPT
SCHEMBL11983053 0.84 APP (0.50) KMT2AMAPK1HSD17B1HSD17B2ALDH1A1
SCHEMBL3173931 0.84 KMT2A (0.47) KMT2AMAPK1HSD17B1HSD17B2MAPT
SCHEMBL3177335 0.84 IKBKB (0.49) KMT2AMAPK1NPSR1HCAR2ESRRG
SCHEMBL3177327 0.84 IKBKB (0.49) KMT2AMAPK1NPSR1HCAR2ESRRG
SCHEMBL5207245 0.83 MAPK1 (0.59) KMT2AMAPK1LMNAMAPTHTT
SCHEMBL5207000 0.83 MAPK1 (0.55) KMT2AMAPK1LMNAMAPTALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed