SCHEMBL11328828

SCHEMBL11328828

Nc1sc(C(=O)O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ IKBKB O14920 3/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ ADORA1 P30542 2/20 0.40
▸ GLA P06280 1/20 0.40

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
SCHEMBL17975923 0.79 ALDH1A1 (0.61) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL7970697 0.74 MCL1 (0.58) MCL1ALDH1A1MEN1GAAKMT2A
SCHEMBL15876151 0.74 MCL1 (0.48) MCL1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL14246796 0.74 MCL1 (0.48) MCL1ALDH1A1MEN1KMT2AHPGD
SCHEMBL1919937 0.74 LIMK1 (0.73) MCL1ALDH1A1MEN1GAAKMT2A
SCHEMBL20223271 0.70 LIMK1 (0.59) MCL1ALDH1A1MEN1GAAKMT2A
SCHEMBL2206020 0.69 MCL1 (0.49) MCL1ALDH1A1MEN1GAAKMT2A
SCHEMBL2044907 0.68 IKBKB (0.77) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL2158576 0.67 IKBKB (0.75) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL941112 0.67 MCL1 (0.65) MCL1ALDH1A1MEN1GAAKMT2A

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-4257942-A New water-insoluble azo dyes AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) 1981-03-24 — — US disclosed
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