SCHEMBL27697369

SCHEMBL27697369

Cc1cc(C)n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Oc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.39
TDP2 O95551 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
4-Cyanophenol SCHEMBL27697371 0.81 TDP2 (0.48) KDM4ELMNAALDH1A1USP2HSD17B10
SCHEMBL6751094 0.74 NOTUM (0.57) KDM4ELMNAALDH1A1USP2HSD17B10
SCHEMBL9251071 0.73 NOTUM (0.56) KDM4ELMNAALDH1A1USP2HSD17B10
SCHEMBL9251057 0.72 POLB (0.51) KDM4ELMNAALDH1A1USP2HSD17B10
SCHEMBL9740604 0.71 KMT2A (0.44) KDM4ELMNAALDH1A1USP2HSD17B10
SCHEMBL13671366 0.68 TP53 (0.50) LMNAALDH1A1POLBMAPTTP53
SCHEMBL11224737 0.66 TAS1R3 (0.55) KDM4ELMNAALDH1A1L3MBTL1POLB
SCHEMBL23245297 0.65 KDM4E (0.50) KDM4ELMNAALDH1A1MAPTMAPK1
SCHEMBL29083234 0.65 LMNA (0.74) KDM4ELMNAALDH1A1USP2HSD17B10
SCHEMBL680212 0.65 L3MBTL1 (0.56) KDM4ELMNAL3MBTL1POLBMAPT

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
CN-86100254-A The method for preparing tertiary amine compounds 1986-10-08 CN disclosed