SCHEMBL11269216

SCHEMBL11269216

COC(=S)CCc1ccc(OC)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
KMT2A Q03164 4/20 0.62
ATM Q13315 2/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 3/20 0.55
CA2 P00918 2/20 0.53
CYP19A1 P11511 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
STAT3 P40763 1/20 0.53
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL11265688 0.84 MAPT (0.61) MAPTKMT2AATMPOLBKDM4E
SCHEMBL1302702 0.84 KMT2A (0.64) MAPTKMT2AATMPOLBKDM4E
SCHEMBL11440293 0.83 MAPT (0.60) MAPTKMT2AATMPOLBKDM4E
SCHEMBL2403628 0.80 ATM (0.61) MAPTKMT2AATMPOLBKDM4E
SCHEMBL10307841 0.79 ALOX5 (0.77) MAPTKMT2AATMPOLBKDM4E
SCHEMBL3940302 0.79 KMT2A (0.59) MAPTKMT2AATMPOLBKDM4E
SCHEMBL31157848 0.79 CYP19A1 (0.77) MAPTKMT2AATMPOLBKDM4E
SCHEMBL16641094 0.79 CYP19A1 (0.77) MAPTKMT2AATMPOLBKDM4E
SCHEMBL3579994 0.79 ALOX5 (0.66) KMT2AATMPOLBKDM4EMEN1
SCHEMBL9008189 0.78 LTA4H (0.53) MAPTKMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325964-A SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1982-04-20 US disclosed
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 US disclosed