SCHEMBL8874149

SCHEMBL8874149

COc1cccc(NC(=O)c2ccccc2)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PABPC1 P11940 1/20 0.57
APOBEC3A P31941 1/20 0.57
EIF4H Q15056 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ATM Q13315 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MLYCD O95822 1/20 0.56
KCNK3 O14649 1/20 0.56

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
SCHEMBL29989592 0.87 RAB9A (0.77) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL527994 0.87 RAB9A (0.77) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL3225418 0.83 BRD4 (0.55) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL11309226 0.83 HDAC1 (0.66) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL31711699 0.83 HDAC1 (0.66) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL11316188 0.83 MEN1 (0.58) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL8493065 0.82 ALDH1A1 (0.59) NAMPTKMT2ANPC1RAB9AKDM4E
SCHEMBL6774791 0.80 BRD4 (0.55) NAMPTMEN1KMT2AMAPK1KDM4E
SCHEMBL28185207 0.80 NPC1 (0.67) MEN1KMT2ANPC1RAB9APABPC1
SCHEMBL8522485 0.80 TSHR (0.56) MEN1KMT2ANPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593994-A ANTIINFLAMMATORY AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 US disclosed
WO-1996010012-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-04 WO disclosed