SCHEMBL16457250

SCHEMBL16457250

Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)c(Cl)c2)cc(C[C@H](C)OCc2ccccc2)n1-c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.44
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
P2RX4 Q99571 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL16457052 0.92 NR3C2 (0.49) NR3C2AVPR2OXTRAVPR1AP2RX4
SCHEMBL16457242 0.90 NR3C2 (0.48) NR3C2AVPR2OXTRAVPR1ALMNA
SCHEMBL2547086 0.88 NR3C2 (0.48) NR3C2AVPR2OXTRAVPR1ALMNA
SCHEMBL16456865 0.87 NR3C2 (0.59) NR3C2AVPR2OXTRAVPR1ALMNA
SCHEMBL2360202 0.86 NR3C2 (0.58) NR3C2AVPR2OXTRAVPR1ALMNA
SCHEMBL16457142 0.86 NR3C2 (0.54) NR3C2AVPR2OXTRAVPR1ALMNA
SCHEMBL2359769 0.83 NR3C2 (0.46) NR3C2AVPR2OXTRAVPR1AMAPT
SCHEMBL16456948 0.82 NR3C2 (0.57) NR3C2P2RX4MAPTCA12CA2
SCHEMBL16457080 0.81 NR3C2 (0.46) NR3C2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL16456899 0.81 NR3C2 (0.46) NR3C2AVPR2OXTRAVPR1AMAPT

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-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP disclosed