SCHEMBL7678043

SCHEMBL7678043

Cc1cc(C)nc(Nc2ccc(C(C)C)cc2Br)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CRHR1 P34998 3/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB1 P19838 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7680556 0.85 MAPT (0.43) MAPTALDH1A1KMT2ACRHR1LMNA
SCHEMBL8208478 0.85 CRHR1 (0.54) MAPTALDH1A1MEN1KMT2ACRHR1
SCHEMBL7683030 0.84 ALDH1A1 (0.41) MAPTALDH1A1CRHR1LMNATP53
SCHEMBL21004329 0.84 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7676334 0.84 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7681125 0.82 MAPT (0.44) MAPTALDH1A1MEN1KMT2ACRHR1
SCHEMBL7682784 0.82 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2ACRHR1
SCHEMBL7680672 0.81 CRHR1 (0.57) MAPTALDH1A1KMT2ACRHR1LMNA
SCHEMBL7684971 0.80 MAPT (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7687760 0.79 NPC1 (0.39) MAPTALDH1A1MEN1KMT2ACRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
CN-1142817-A 1N-alkyl-N-arylpyrimidinamines and derivatives thereof DU PONT MERCK PHARMA (US) 1997-02-12 CN disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed