SCHEMBL18924425

SCHEMBL18924425

CN(C)C(=O)c1ccc(-c2ccc3[nH]ccc3c2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 3/20 0.51
▸ MAPT P10636 1/20 0.48
▸ BRD4 O60885 3/20 0.43
▸ TAF1 P21675 2/20 0.43
▸ TRIM24 O15164 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38
▸ BAZ2A Q9UIF9 1/20 0.38
▸ AURKA O14965 2/20 0.37
▸ TPX2 Q9ULW0 2/20 0.37
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36

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
SCHEMBL18924424 0.84 MAPK14 (0.41) CECR2MAPTBRD4TAF1BRD9
SCHEMBL22221034 0.71 LMNA (0.43) MAPTCYP2D6CLK4CYP1A2CYP3A4
SCHEMBL22220936 0.69 PTGS2 (0.56) MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL22259673 0.68 BRD9 (0.42) CECR2MAPTBRD4TAF1TRIM24
SCHEMBL4790487 0.68 IKBKB (0.69) PRKCQCLK4PIK3R1PIK3CAMTOR
SCHEMBL19391415 0.68 HSD17B1 (0.34) CECR2MAPTBRD4AURKATPX2
SCHEMBL17748906 0.68 CECR2 (1.00) CECR2BRD4TAF1TRIM24SMARCA2
SCHEMBL18924375 0.67 NSD2 (0.51) ALDH1A1HPGDSMN1; SMN2
SCHEMBL22259806 0.67 PRKAB2 (0.46) CECR2MAPT
SCHEMBL18924423 0.66 MAPK14 (0.45) CECR2MAPTBRD4TAF1BRD9

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
US-9670142-B2 1,3-diaminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-06-06 — — US disclosed
Send feedback