SCHEMBL23325009

SCHEMBL23325009

Cc1c(CCCI)sc(NC(N)=S)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AIP O00170 1/20 0.46
▸ SGTA O43765 1/20 0.46
▸ TOMM70 O94826 1/20 0.46
▸ STIP1 P31948 1/20 0.46
▸ PPP5C P53041 1/20 0.46
▸ FKBP4 Q02790 1/20 0.46
▸ PPID Q08752 1/20 0.46
▸ FKBP5 Q13451 1/20 0.46
▸ FKBP8 Q14318 1/20 0.46
▸ TOMM34 Q15785 1/20 0.46
▸ DNAJC7 Q99615 1/20 0.46
▸ AIPL1 Q9NZN9 1/20 0.46
▸ STUB1 Q9UNE7 1/20 0.46
▸ ALDH1A1 P00352 14/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL23323376 0.92 ALDH1A1 (0.46) AIPSGTATOMM70STIP1PPP5C
SCHEMBL23323474 0.87 ALDH1A1 (0.47) AIPSGTATOMM70STIP1PPP5C
SCHEMBL26296832 0.71 CYP1A2 (0.43) AIPSGTATOMM70STIP1PPP5C
SCHEMBL26296197 0.68 CYP1A2 (0.71) AIPSGTATOMM70STIP1PPP5C
SCHEMBL1622930 0.63 MAPK1 (0.78) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8290398 0.62 ALDH1A1 (0.77) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL12115502 0.62 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL26295499 0.62 EPHB4 (0.39) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL11324603 0.61 AIP (0.66) AIPSGTATOMM70STIP1PPP5C
SCHEMBL1926572 0.60 MAPT (0.48) AIPSGTATOMM70STIP1PPP5C

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-2021087408-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY OTONOMY, INC. (US) 2021-05-06 — — WO disclosed
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