SCHEMBL11399175

SCHEMBL11399175

COc1cccc(C2NCCS2)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.63
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 2/20 0.46
GAA P10253 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
HTR2C P28335 2/20 0.39
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL30683723 0.80 ERN1 (0.48) ERN1MAPTALDH1A1HSD17B10LMNA
SCHEMBL12767273 0.77 ERN1 (1.00) ERN1GAACYP2D6MAPTALDH1A1
SCHEMBL12470882 0.77 ERN1 (0.68) ERN1CYP3A4CYP2D6MAPTALDH1A1
SCHEMBL12767262 0.75 ERN1 (0.60) ERN1KDM4EGAAMAPTALDH1A1
SCHEMBL12470883 0.75 MEN1 (0.55) ERN1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL31529056 0.73 TSHR (0.57) ERN1CYP3A4GAAMAPTALDH1A1
SCHEMBL31529055 0.73 TSHR (0.57) ERN1CYP3A4GAAMAPTALDH1A1
SCHEMBL2082412 0.73 TSHR (0.57) ERN1CYP3A4GAAMAPTALDH1A1
SCHEMBL8951248 0.73 MAPT (0.44) ERN1GAACYP2D6CYP2C9CYP2C19
SCHEMBL2084236 0.71 GFER (0.56) ERN1KDM4EMAPTALDH1A1TDP1

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-4291032-A ANALGESICS RHONE POULENC INDUSTRIES (FR) 1981-09-22 US disclosed