SCHEMBL9045862

SCHEMBL9045862

Cc1cc(C)c2cc(-c3ccc(C(C)C)cc3Br)[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.41
CRHR1 P34998 6/20 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
SCHEMBL9057759 0.88 LMNA (0.39) KDM4EMEN1ALDH1A1KMT2ALMNA
SCHEMBL9046491 0.88 CRHR1 (0.41) KDM4EMEN1ALDH1A1KMT2ALMNA
SCHEMBL9046572 0.84 CRHR1 (0.43) CRHR1
SCHEMBL9047218 0.83 CRHR1 (0.43) KDM4EMEN1ALDH1A1KMT2ALMNA
SCHEMBL9049223 0.82 EIF4A3 (0.36) LMNACRHR1
SCHEMBL9045141 0.72 CRHR1 (0.39) KDM4EALDH1A1LMNACRHR1
SCHEMBL9045363 0.70 CRHR1 (0.37) KDM4EKMT2ALMNACRHR1
SCHEMBL1762674 0.66 LMNA (0.58) ALDH1A1LMNACRHR1
SCHEMBL9046169 0.65 CRHR1 (0.39) KDM4ECRHR1
SCHEMBL7678043 0.65 MAPT (0.59) MEN1ALDH1A1KMT2ALMNACRHR1

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-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP claimed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed