SCHEMBL7574902

SCHEMBL7574902

COc1ccc(C(=O)Nc2c(OC)cccc2C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
ALDH1A1 P00352 6/20 0.55
NPC1 O15118 5/20 0.55
KMT2A Q03164 4/20 0.55
PKM P14618 1/20 0.55
F10 P00742 3/20 0.52
MEN1 O00255 3/20 0.51
GAA P10253 2/20 0.51
ALOX15 P16050 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50

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
SCHEMBL167021 0.89 SMN1; SMN2 (0.57) TP53RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL15775208 0.89 RAB9A (0.58) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL7028467 0.89 KCNK3 (0.59) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL15775343 0.88 LMNA (0.58) SMN1; SMN2ALDH1A1NPC1KMT2AF10
SCHEMBL15775483 0.88 ALDH1A1 (0.54) TP53RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL15775332 0.86 ALDH1A1 (0.55) TP53RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL15775203 0.86 TAS1R3 (0.47) TP53RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7570311 0.84 KMT2A (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL21870513 0.82 ALDH1A1 (0.59) TP53RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7242479 0.81 TP53 (0.69) TP53RAB9ASMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed
EP-0966476-B1 Quinazolinone compounds UNIV NEWCASTLE VENTURES LTD (GB) 2002-09-04 EP disclosed
US-6156739-A Quinazolinone compounds NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-12-05 US disclosed
EP-0966476-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-12-29 EP disclosed
WO-1998033802-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-08-06 WO disclosed