SCHEMBL6541528

SCHEMBL6541528

NC(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ncsc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.40
▸ RAB9A P51151 7/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ FLT1 P17948 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
SCHEMBL4246399 0.83 HTR3E (0.49) MEN1KMT2AGRM4KDRHTR3E
SCHEMBL1525499 0.78 HTR3E (0.44) RAB9AMEN1KMT2AGRM4KDR
SCHEMBL30019653 0.78 HTR3E (0.44) RAB9AMEN1KMT2AGRM4KDR
SCHEMBL28217604 0.76 GRM4 (0.44) MEN1KMT2AGRM4KDRHTR3E
SCHEMBL27734542 0.76 HTR3E (0.43) MEN1KMT2AGRM4KDRHTR3E
SCHEMBL1513809 0.76 HTR3E (0.43) MEN1KMT2AGRM4KITKDR
SCHEMBL6308840 0.74 KDR (0.67) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL1513968 0.74 NPFFR2 (0.43) GRM4KDRHTR3EHTR3BHTR3A
SCHEMBL27702049 0.74 HTR3E (0.41) GRM4KDRHTR3EHTR3BHTR3A
SCHEMBL6385546 0.72 KDR (0.52) KITKDRFLT1NTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465623-A1 UREA DERIVATIVES Bayer HealthCare AG (DE) 2004-10-13 — — EP disclosed
WO-2003055484-A1 UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-07-10 — — WO disclosed
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