SCHEMBL17118228

SCHEMBL17118228

CNC(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(C)cc3C(=O)O)c(C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.52
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ CA12 O43570 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ PLK1 P53350 2/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46

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
SCHEMBL17111072 0.94 NR1H4 (0.49) NR1H4NPC1RAB9AKMT2AMEN1
SCHEMBL17118234 0.91 KMT2A (0.60) NPC1RAB9AKMT2AMEN1CA12
SCHEMBL11590256 0.80 NPC1 (0.66) NR1H4NPC1RAB9AKMT2AMEN1
SCHEMBL10001968 0.79 TDP1 (0.61) NR1H4NPC1RAB9AKMT2AMEN1
SCHEMBL12200275 0.77 RAB9A (0.85) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL25800418 0.76 RAB9A (0.63) NPC1RAB9AKMT2AMEN1CA12
SCHEMBL13258146 0.76 KMT2A (0.57) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL17213006 0.76 MEN1 (0.49) NPC1RAB9AKMT2AMEN1CA12
SCHEMBL4621112 0.75 CSNK2A1 (0.65) KMT2AMEN1CA12CA7CA1
SCHEMBL15293401 0.75 NPC1 (0.54) NPC1RAB9AKMT2AMEN1MAPT

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
US-20170057870-A1 CONCRETE FORMULATION AND METHODS OF MAKING LIGHT POLYMERS HOLDING (KY) 2017-03-02 — — US disclosed
US-20150266999-A1 INSOLUBILIZATION OF WATER-SOLUBLE POLYARAMIDE BY CROSS-LINKING WITH POLYFUNCTIONAL AZIRIDINE LIGHT POLYMERS HOLDING (KY) 2015-09-24 — — US disclosed
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