SCHEMBL11142807

SCHEMBL11142807

COc1ccc(C(=O)Nc2ccc(N=NS(=O)(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.66
▸ NPC1 O15118 9/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ TP53 P04637 3/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ PLAU P00749 1/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ MAPT P10636 2/20 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
SCHEMBL14130390 0.87 RAB9A (0.81) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL10974503 0.83 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1CYP1A2GAA
SCHEMBL6799157 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL14130400 0.80 NPC1 (0.68) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL10311785 0.80 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL14130389 0.77 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.77 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.77 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.77 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.77 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15

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-4421839-A DIAZOTYPE PROCESS DAI NIPPON PRINTING CO., LTD. (JP) 1983-12-20 — — US disclosed
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