SCHEMBL9380901

SCHEMBL9380901

CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(N)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP26A1 O43174 3/20 0.51
RARA P10276 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK14 Q16539 4/20 0.49
SNCA P37840 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
RARB P10826 1/20 0.45
CYP2C9 P11712 1/20 0.45
RARG P13631 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL9375391 0.88 CYP26A1 (0.52) MEN1KMT2APOLBPKMTDP1
SCHEMBL9376571 0.88 CYP26A1 (0.52) MEN1KMT2APOLBCYP26A1RARA
SCHEMBL9380096 0.88 LMNA (0.51) MEN1KMT2ALMNACYP26A1RARA
SCHEMBL9840186 0.87 CYP26A1 (0.51) MEN1KMT2ACYP26A1RARACYP3A4
SCHEMBL9375261 0.87 BACE1 (0.55) MEN1KMT2APOLBCYP26A1RARA
SCHEMBL9379538 0.87 MEN1 (0.53) MEN1KMT2APOLBTDP1CYP26A1
SCHEMBL9374793 0.87 CYP26A1 (0.53) MEN1KMT2APOLBCYP26A1RARA
SCHEMBL9380805 0.86 PTGS1 (0.50) MEN1KMT2ACYP26A1RARACYP3A4
SCHEMBL9375240 0.86 KMT2A (0.52) MEN1KMT2APOLBPKMTDP1
SCHEMBL9380425 0.85 MAPT (0.50) MEN1KMT2ALMNACYP26A1RARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed
CN-1038640-A Two ring carboxamide, its preparation methods and contain the pharmaceutical composition of this material BOEHRINGER MANNHEIM GMBH (DE) 1990-01-10 CN disclosed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP disclosed