SCHEMBL21393690

SCHEMBL21393690

CC(=O)c1c(/N=C/Cl)ncn1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
CYP1A2 P05177 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21393693 0.77 APOBEC3A (0.32) APOBEC3AAPOBEC3G
SCHEMBL21393576 0.72 TDP1 (0.31) TDP1
SCHEMBL19235764 0.67 APOBEC3A (0.41) APOBEC3AAPOBEC3GMAPTTDP1
SCHEMBL21879818 0.61 APOBEC3A (0.42) APOBEC3AAPOBEC3GKDM4ENPC1RAB9A
SCHEMBL23718340 0.60 APOBEC3A (0.41) APOBEC3AAPOBEC3G
SCHEMBL22209898 0.60 APOBEC3A (0.35) APOBEC3AAPOBEC3GNPC1RAB9A
SCHEMBL15078306 0.58 ALDH1A1 (0.45) NPC1MAPTRAB9AKMT2A
SCHEMBL21367563 0.58
SCHEMBL3054669 0.57 APOBEC3A (0.42) APOBEC3AAPOBEC3GKDM4ENPC1RAB9A
SCHEMBL67836 0.57 APOBEC3A (0.50) APOBEC3AAPOBEC3GKDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed