SCHEMBL8967808

SCHEMBL8967808

CC(C)CNSc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.40
AKT1 P31749 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
KCNH2 Q12809 1/20 0.38
HSD17B10 Q99714 2/20 0.36
SDCBP O00560 2/20 0.36
SDC2 P34741 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL8967161 0.79 MAOA (0.41) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8967314 0.73 SMN1; SMN2 (0.44) HPGDCYP2C9CYP3A4CYP2D6ALDH1A1
SCHEMBL9465203 0.72 MAOA (0.42) HPGDTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL19414326 0.69 TEAD1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL19361101 0.69 LMNA (0.42) HPGDTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL8258989 0.68 HPGD (0.50) HPGDTSHRCYP1A2CYP2C19CYP2D6
SCHEMBL1800738 0.68 MEN1 (0.44) HPGDAKT1CYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL7245398 0.67 HPGD (0.49) HPGDTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL21953832 0.66 CHRNA7 (0.53) HPGDTSHRCYP3A4RAB9ALMNA
SCHEMBL6566603 0.65 GAA (0.56) CYP1A2CYP2D6ALDH1A1RAB9AKCNH2

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-0553081-B1 PESTICIDES ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
US-5326755-A Contain cyclopropane ring ROUSSEL UCLAF 1994-07-05 US disclosed
EP-0553081-A1 PESTICIDES. ROUSSEL UCLAF (FR) 1993-08-04 EP disclosed
WO-1991016301-A1 PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-31 WO disclosed