SCHEMBL11706161

SCHEMBL11706161

O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1ccc(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.72
RAB9A P51151 6/20 0.72
IRAK4 Q9NWZ3 1/20 0.67
POLB P06746 1/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
HRH4 Q9H3N8 1/20 0.60
PKM P14618 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAOB P27338 1/20 0.58
ADORA2A P29274 1/20 0.58
RPS6KA2 Q15349 2/20 0.57
SCD O00767 1/20 0.57
OPRK1 P41145 1/20 0.57
KLF5 Q13887 1/20 0.57
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LPAR2 Q9HBW0 1/20 0.55

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
SCHEMBL11707756 0.93 NPC1 (0.71) NPC1RAB9AIRAK4POLBMEN1
SCHEMBL11706151 0.88 NPC1 (0.72) NPC1RAB9AIRAK4POLBMEN1
SCHEMBL11707254 0.85 NPC1 (0.64) NPC1RAB9AIRAK4POLBMEN1
SCHEMBL11206434 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2APKM
SCHEMBL11707745 0.82 NPC1 (0.71) NPC1RAB9AIRAK4POLBMEN1
SCHEMBL2683695 0.81 NPC1 (0.72) NPC1RAB9AIRAK4POLBMEN1
SCHEMBL11171725 0.81 LMNA (0.63) NPC1POLBMEN1KMT2AHRH4
SCHEMBL28642016 0.81 NPC1 (0.57) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL11766588 0.80 TUBB4A (0.66) NPC1RAB9AIRAK4POLBMEN1
SCHEMBL31329345 0.79 NPC1 (0.74) NPC1RAB9AIRAK4MEN1KMT2A

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