SCHEMBL3812662

SCHEMBL3812662

O=C(O)Oc1sc(-c2ccccc2)cc1N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RORB Q92753 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34

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
SCHEMBL2157905 0.88 PRMT1 (0.38) PRMT1ALDH1A1KDM4ECYP3A4RORB
SCHEMBL2158560 0.88 PRMT1 (0.39) PRMT1CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL3812070 0.81 CYP3A4 (0.43) CYP1A2CYP2C19ALDH1A1KDM4ECYP3A4
SCHEMBL3817340 0.80 RORB (0.37) CYP1A2CYP2C19ALDH1A1CYP3A4KMT2A
SCHEMBL3809003 0.78 CYP3A4 (0.35) CYP1A2CYP2C19ALDH1A1CYP3A4HPGD
SCHEMBL14947249 0.78 NR4A1 (0.39) CYP1A2CYP2C19CYP3A4KMT2AMEN1
SCHEMBL6319596 0.77 PRMT1 (0.44) PRMT1CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL3811165 0.76 CYP3A4 (0.41) CYP1A2CYP2C19CYP3A4
SCHEMBL3811167 0.76 NPC1 (0.34) CYP1A2CYP2C19ALDH1A1KDM4ECYP3A4
SCHEMBL3811273 0.76 CYP3A4 (0.39) CYP1A2CYP2C19ALDH1A1CYP3A4KMT2A

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-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
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