SCHEMBL11706151

SCHEMBL11706151

O=C(Nc1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.72
RAB9A P51151 12/20 0.72
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
PKM P14618 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAOB P27338 1/20 0.58
ADORA2A P29274 1/20 0.58
KLF5 Q13887 3/20 0.57
SCD O00767 1/20 0.57
OPRK1 P41145 1/20 0.57
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
IRAK4 Q9NWZ3 1/20 0.54
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL11707745 0.93 NPC1 (0.71) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11706161 0.88 NPC1 (0.72) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11707239 0.85 NPC1 (0.64) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11206434 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2APKM
SCHEMBL9893032 0.84 LMNA (0.63) NPC1RAB9AMEN1KMT2AKLF5
SCHEMBL11707756 0.82 NPC1 (0.71) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11171719 0.81 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28642015 0.81 NPC1 (0.57) NPC1RAB9AMEN1KMT2APKM
SCHEMBL25956581 0.81 IRAK4 (0.84) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11766577 0.80 TUBB4A (0.57) NPC1RAB9AMEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4011236-A N-(BENZIMIDAZOL-2-YL)ARYLCARBOXAMIDES AS ULTRAVIOLET (UV) LIGHT ABSORBERS MERCK & CO., INC. (US) 1977-03-08 US disclosed