SCHEMBL9155017

SCHEMBL9155017

O=C(CCCc1c[nH]c2ccc(Cl)cc12)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SNCA P37840 6/20 0.53
ALDH1A1 P00352 2/20 0.53
GFER P55789 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NTRK1 P04629 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR6 P50406 1/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9149723 0.86 SMN1; SMN2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7230859 0.84 CYP1A2 (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9153271 0.82 SMN1; SMN2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9153580 0.81 SMN1; SMN2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8803091 0.81 SNCA (0.66) SNCATSHRMTNR1AMTNR1B
SCHEMBL7238856 0.81 GFER (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9149154 0.81 GFER (0.64) CYP2C19SNCAGFERHSD17B10MEN1
SCHEMBL10833004 0.80 MPO (0.60) SMN1; SMN2SNCAMEN1KMT2ALMNA
SCHEMBL4071928 0.78 LMNA (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9790359 0.78 HTR2A (0.59) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10

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
EP-0516849-B1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-25 EP disclosed
US-5283251-A Testosterone 5a-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0516849-A1 INDOLE DERIVATIVES. FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 EP disclosed
WO-1991013060-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-05 WO disclosed