SCHEMBL11240030

SCHEMBL11240030

CCC(Cc1ccccc1)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 3/20 0.44
▸ ITGB1 P05556 2/20 0.44
▸ FPR2 P25090 2/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PSMB1 P20618 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ PSMB2 P49721 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL11243140 0.83 NPC1 (0.48) FPR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10906940 0.83 NPC1 (0.44) NPC1RAB9AATMSMN1; SMN2MAPT
SCHEMBL8659039 0.81 NPC1 (0.47) NPC1RAB9AATMSMN1; SMN2MAPT
SCHEMBL11238380 0.81 TDP1 (0.55) ITGA4ITGB1FPR2NPC1RAB9A
SCHEMBL11388137 0.81 ATM (0.42) ITGA4ITGB1NPC1RAB9AATM
SCHEMBL11390176 0.79 ATM (0.45) NPC1RAB9AATMSMN1; SMN2MAPT
SCHEMBL10906894 0.79 NPC1 (0.43) NPC1RAB9A
SCHEMBL9834629 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MEN1RECQL
SCHEMBL11235882 0.79 ATM (0.46) NPC1RAB9AATMSMN1; SMN2MAPT
SCHEMBL10908649 0.78 NPC1 (0.45) NPC1RAB9AATMSMN1; SMN2MAPT

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-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 — — US disclosed
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