SCHEMBL4530482

SCHEMBL4530482

Cn1cc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4cn(C)c5ccccc45)cc3)cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.49
▸ KMT2A Q03164 10/20 0.49
▸ RAB9A P51151 8/20 0.49
▸ USP2 O75604 7/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MITF O75030 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ IMPDH2 P12268 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ APOBEC3A P31941 2/20 0.42
▸ APOBEC3G Q9HC16 2/20 0.42
▸ CRHBP P24387 1/20 0.42

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
SCHEMBL4530484 1.00 MEN1 (0.49) MEN1KMT2ARAB9AUSP2NPC1
SCHEMBL13926450 0.81 MEN1 (0.40) MEN1KMT2ARAB9AUSP2NPC1
SCHEMBL2604917 0.79 ALDH1A1 (0.61) MEN1KMT2ARAB9AUSP2NPC1
SCHEMBL27906936 0.79 ALDH1A1 (0.61) MEN1KMT2ARAB9AUSP2NPC1
SCHEMBL10104210 0.76 GPR3 (0.40) MEN1KMT2ARAB9AALDH1A1POLB
SCHEMBL13107389 0.74 CHAT (0.50) MEN1KMT2ARAB9AUSP2ALDH1A1
SCHEMBL2604904 0.74 ALDH1A1 (0.54) MEN1KMT2ARAB9AUSP2NPC1
SCHEMBL10104184 0.72 CHAT (0.47) MEN1KMT2ARAB9AUSP2NPC1
SCHEMBL14392967 0.72 BCHE (0.53) MEN1KMT2AUSP2ALDH1A1POLB
SCHEMBL14626639 0.69 KMT2A (0.52) MEN1KMT2ARAB9AUSP2NPC1

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
WO-2009037325-A2 THIOL/DISULFIDE INDOLE-DERIVED, STYRYL DYE, DYE COMPOSITION COMPRISING SAID DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 — — WO disclosed
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