SCHEMBL3809239

SCHEMBL3809239

CCCc1nc(C)c(C#N)c(-c2ccc(F)cc2C(F)(F)F)c1C(=O)OC(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ TP53 P04637 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL3819858 0.81 CYP1A2 (0.36) RXFP1MAPTALDH1A1L3MBTL1GAA
SCHEMBL3810059 0.65 KDM4E (0.40) ALDH1A1L3MBTL1KDM4ENR3C2POLB
SCHEMBL293902 0.61 GSK3A (0.44) RXFP1MAPTALDH1A1HPGDMEN1
SCHEMBL293972 0.61 GSK3A (0.44) RXFP1MAPTALDH1A1GAAHPGD
SCHEMBL5449955 0.61 DPP4 (0.52) RXFP1MAPTALDH1A1L3MBTL1HPGD
SCHEMBL13587804 0.61 NR3C2 (0.54) NR3C2
SCHEMBL2703349 0.60 KDM4E (0.45) MAPTALDH1A1L3MBTL1HPGDMEN1
SCHEMBL10379114 0.60 L3MBTL1 (0.42) MAPTALDH1A1L3MBTL1GAAHPGD
SCHEMBL5449481 0.57 DPP4 (0.49) MAPTALDH1A1L3MBTL1GAAHPGD
SCHEMBL12832686 0.57 ADRB2 (0.47) MAPTALDH1A1MEN1KMT2AKDM4E

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