SCHEMBL9840437

SCHEMBL9840437

CC1(C)C(=O)Nc2cc(NC(=O)c3ccncc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
LMNA P02545 4/20 0.50
MAPK1 P28482 3/20 0.50
POLB P06746 1/20 0.50
KCNK3 O14649 2/20 0.48
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK14 Q16539 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
RAB9A P51151 2/20 0.46
KCNK9 Q9NPC2 1/20 0.46
AHR P35869 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL9120280 0.90 GAA (0.53) GAALMNAMAPK1POLBKCNK3
SCHEMBL9376102 0.87 BACE1 (0.55) GAAPOLBKDM4EMAPK14RAB9A
SCHEMBL9312304 0.87 GSK3B (0.53) GAAPOLBKCNK3SMN1; SMN2RAB9A
SCHEMBL10477973 0.86 MEN1 (0.56) GAAPOLBKDM4EMAPK14SMN1; SMN2
SCHEMBL9312281 0.86 NQO2 (0.51) MAPK14KMT2A
SCHEMBL15578805 0.85 MAPK14 (0.51) LMNAKCNK3KDM4EMAPK14SMN1; SMN2
SCHEMBL10478091 0.85 TRPV1 (0.52) LMNARAB9ATP53KMT2A
SCHEMBL9840136 0.83 ROCK1 (0.49) GAATDP1MAPK14HTTL3MBTL1
SCHEMBL10478082 0.82 KMT2A (0.59) GAAKDM4ESMN1; SMN2RAB9AKCNK9
SCHEMBL9840703 0.82 MAPK14 (0.45) LMNAMAPK14SMN1; SMN2RAB9AKMT2A

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-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US claimed
WO-1991001986-A1 N-(DIALKYLOXOPHOSPHINYLALKYL)-LACTAMS, PROCESS FOR PREPARING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1991-02-21 WO disclosed