SCHEMBL14397997

SCHEMBL14397997

CC(C)Cc1cc(-c2ccc(N)s2)no1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.37
NPC1 O15118 8/20 0.37
SMN1; SMN2 Q16637 7/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NOTUM Q6P988 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL19067622 0.84 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13514067 0.83 RET (0.39) RAB9ANPC1SMN1; SMN2NOTUMLMNA
SCHEMBL17229342 0.82 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10130863 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10130868 0.78 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13513990 0.75 IDH1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2791170 0.75 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10130675 0.71 NOTUM (0.62) RAB9ANPC1SMN1; SMN2MAPTNOTUM
SCHEMBL28877063 0.70 ALDH1A1 (0.42) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL12545820 0.68 ALDH1A1 (0.57) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO disclosed