SCHEMBL19540201

SCHEMBL19540201

CC(C)Oc1ccc(Cl)cc1S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ RORC P51449 1/20 0.39
▸ SLC9A1 P19634 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 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
SCHEMBL7172382 0.79 CSNK2A1 (0.59) CSNK2A1TSHRRORCMAPK1SMN1; SMN2
SCHEMBL254820 0.78 TSHR (0.64) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL1332160 0.77 TRPV4 (0.46) MAPK1POLBCYP1A2CYP3A4CYP2D6
SCHEMBL10540450 0.76 TTR (0.47) SMN1; SMN2ADORA3SLC6A4CYP1A2CYP3A4
SCHEMBL16952522 0.76 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL339511 0.76 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL19088280 0.76 TRPV4 (0.46) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL339512 0.76 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL14986712 0.76 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL359023 0.76 MAPT (0.52) CSNK2A1TSHRHTR2AHTR2CHTR2B

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
WO-2017189613-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-11-02 — — WO disclosed
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