SCHEMBL11707239

SCHEMBL11707239

O=C(Nc1nc2cc(S(=O)(=O)O)ccc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
RAB9A P51151 8/20 0.64
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
SMN1; SMN2 Q16637 6/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.50
MAPT P10636 4/20 0.49
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PKM P14618 3/20 0.49
MAOB P27338 1/20 0.49
ADORA2A P29274 1/20 0.49
SCD O00767 1/20 0.48
OPRK1 P41145 1/20 0.48
KLF5 Q13887 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL11707254 0.91 NPC1 (0.64) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11705219 0.86 NPC1 (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11706151 0.85 NPC1 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11707745 0.79 NPC1 (0.71) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11206434 0.78 NPC1 (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL10742942 0.78 ACR (0.53) NPC1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL11705235 0.77 HDAC6 (0.59) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11706161 0.77 NPC1 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL11094182 0.77 ACR (0.52) NPC1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL11094782 0.77 ACR (0.52) NPC1KMT2AMEN1SMN1; SMN2KDM4E

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