SCHEMBL3255986

SCHEMBL3255986

CCCCCOc1ccc(NC(=O)N(S)C(=O)c2ccc3nonc3c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MCHR1 Q99705 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KDR P35968 3/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL2863547 0.82 MAPT (0.52) S1PR4S1PR1S1PR3S1PR5THRA
SCHEMBL3257434 0.76 S1PR1 (0.43) S1PR4S1PR1S1PR3S1PR5THRA
SCHEMBL9885402 0.71 S1PR1 (0.58) S1PR4S1PR1S1PR3S1PR5THRA
SCHEMBL2869515 0.71 MAPT (0.57) S1PR1THRATHRBNPC1POLB
SCHEMBL3257536 0.71 S1PR1 (0.49) S1PR1THRATHRBMAPT
SCHEMBL4656709 0.70 MAPT (0.64) S1PR4S1PR1S1PR3S1PR5THRA
SCHEMBL3260301 0.70 S1PR1 (0.49) S1PR4S1PR1S1PR3S1PR5THRA
SCHEMBL3258918 0.70 S1PR1 (0.50) S1PR1THRATHRBNPC1RAB9A
SCHEMBL3257407 0.70 S1PR1 (0.50) S1PR4S1PR1S1PR5THRATHRB
SCHEMBL3150783 0.67 THRA (0.44) S1PR4S1PR1S1PR3S1PR5THRA

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
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed