SCHEMBL3817263

SCHEMBL3817263

COCc1nc(C)c(C#N)c(-c2c(Cl)cccc2Cl)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PLA2G2A P14555 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ AR P10275 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ APOBEC3G Q9HC16 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
SCHEMBL293902 0.74 GSK3A (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL293409 0.72 GSK3A (0.44) POLBALDH1A1GAAHPGDMAPT
SCHEMBL293972 0.72 GSK3A (0.44) POLBALDH1A1GAAHPGDMAPT
SCHEMBL8917183 0.69 ALDH1A1 (0.54) POLBALDH1A1GAAHPGDLMNA
SCHEMBL5444807 0.69 DPP4 (0.41) POLBALDH1A1GAAHPGDKMT2A
SCHEMBL5450691 0.67 MEN1 (0.43) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL8916983 0.67 ALDH1A1 (0.46) POLBALDH1A1GAAHPGDLMNA
SCHEMBL4996201 0.66 LMNA (0.50) POLBALDH1A1GAALMNAMAPT
SCHEMBL400760 0.65 NR4A2 (0.48) POLBALDH1A1HPGDLMNAMAPT
SCHEMBL28316970 0.65 POLB (0.48) POLBALDH1A1GAAHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828135-A4 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-08-12 — — EP claimed
EP-1828135-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM, LLC (BM) 2007-09-05 — — EP claimed
WO-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 — — WO claimed
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