SCHEMBL7500570

SCHEMBL7500570

CCCCc1cc(NC(=O)OCC(Cl)(Cl)Cl)n(-c2ccc(C)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CDK8 P49336 2/20 0.42
▸ CCNC P24863 1/20 0.42
▸ MAPK14 Q16539 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK13 O15264 3/20 0.39
▸ MAPK12 P53778 2/20 0.39
▸ MAPK11 Q15759 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ HPGD P15428 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
SCHEMBL3176730 0.85 CDK8 (0.46) LMNAALDH1A1CDK8CCNCMAPK14
SCHEMBL15995545 0.83 ALDH1A1 (0.56) LMNAALDH1A1CDK8CCNCMAPK14
SCHEMBL378881 0.82 CDK8 (0.63) CDK8CCNCMAPK14MAPK13MAPK12
SCHEMBL27722384 0.81 ALDH1A1 (0.39) LMNAALDH1A1CDK8CCNCMAPK14
SCHEMBL3165072 0.81 CDK8 (0.45) LMNAALDH1A1CDK8CCNCMAPK14
SCHEMBL18593705 0.80 ALDH1A1 (0.52) LMNAALDH1A1MAPK14SMN1; SMN2NPSR1
SCHEMBL3174490 0.80 CDK8 (0.53) CDK8CCNCMAPK14MAPK13MAPK12
SCHEMBL27742974 0.80 LMNA (0.38) LMNAALDH1A1MAPK14SMN1; SMN2L3MBTL1
SCHEMBL3185815 0.80 KCNJ6 (0.57) CDK8CCNCMAPK14MAPK13MAPK12
SCHEMBL14539234 0.79 CDK8 (0.43) LMNAALDH1A1CDK8CCNCMAPK14

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
EP-1200411-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-02 — — EP disclosed
WO-2001004115-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-01-18 — — WO disclosed
Send feedback