SCHEMBL23323376

SCHEMBL23323376

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ AIP O00170 1/20 0.44
▸ SGTA O43765 1/20 0.44
▸ TOMM70 O94826 1/20 0.44
▸ STIP1 P31948 1/20 0.44
▸ PPP5C P53041 1/20 0.44
▸ FKBP4 Q02790 1/20 0.44
▸ PPID Q08752 1/20 0.44
▸ FKBP5 Q13451 1/20 0.44
▸ FKBP8 Q14318 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
SCHEMBL23325009 0.92 AIP (0.46) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL23323474 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL26296832 0.73 CYP1A2 (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL26296197 0.70 CYP1A2 (0.71) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1622930 0.65 MAPK1 (0.78) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8290398 0.64 ALDH1A1 (0.77) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL12115502 0.64 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL26295499 0.64 EPHB4 (0.39) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL11324603 0.63 AIP (0.66) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1926572 0.62 MAPT (0.48) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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
Send feedback