SCHEMBL5310112

SCHEMBL5310112

Nc1nc(-c2ccc(Cl)c(F)c2)c(CC(=O)O)s1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTGDR2 Q9Y5Y4 16/20 0.51
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL5315159 0.86 PTGDR2 (0.52) CYP1A2ALDH1A1PTGDR2KDM4ECYP2C9
SCHEMBL2821289 0.83 PTGDR2 (0.70) CYP1A2ALDH1A1PTGDR2KDM4ECYP2C9
SCHEMBL11863207 0.81 CYP1A2 (0.76) CYP1A2ALDH1A1MEN1KMT2APTGDR2
SCHEMBL10359068 0.81 CYP1A2 (0.76) CYP1A2ALDH1A1MEN1KMT2APTGDR2
SCHEMBL14529179 0.81 ALDH1A1 (0.45) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2820684 0.78 PTGDR2 (0.73) CYP1A2ALDH1A1PTGDR2KDM4ECYP2C9
SCHEMBL25694595 0.78 MPL (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL19798165 0.78 PTGDR2 (0.56) CYP1A2ALDH1A1MEN1KMT2APTGDR2
SCHEMBL5313547 0.77 KDM4E (0.55) CYP1A2ALDH1A1MEN1KMT2APTGDR2
SCHEMBL5312710 0.77 MEN1 (0.58) CYP1A2ALDH1A1MEN1KMT2APTGDR2

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-2007051133-A2 SUBSTITUTED THIAZOLES AND THEIR USE MUTSUBISHI TANABE PHARMA CORPORATION (JP) 2007-05-03 — — WO disclosed
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