SCHEMBL8343590

SCHEMBL8343590

CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 6/20 0.56
TSHR P16473 1/20 0.55
TRPC1 P48995 1/20 0.53
TRPC3 Q13507 1/20 0.53
STIM1 Q13586 1/20 0.53
ORAI1 Q96D31 1/20 0.53
STIM2 Q9P246 1/20 0.53
HPGD P15428 1/20 0.53
GPR119 Q8TDV5 1/20 0.52
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CCR1 P32246 2/20 0.48
ADORA1 P30542 1/20 0.47

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
SCHEMBL8345184 0.89 TRPC1 (0.67) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8344850 0.88 ALDH1A1 (0.75) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6313469 0.86 MAPT (0.63) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8341452 0.85 HTT (0.56) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6052641 0.85 ALDH1A1 (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3323394 0.84 ALDH1A1 (0.58) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL15167569 0.84 ALDH1A1 (0.61) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5680826 0.83 ALDH1A1 (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8339357 0.83 ALDH1A1 (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1065124 0.82 ALDH1A1 (0.75) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014181287-A1 HETEROCYCLYL COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2014-11-13 WO disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 WO disclosed