SCHEMBL7381995

SCHEMBL7381995

Oc1cc(-c2ccc(-c3ccccc3)cc2)nc(O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
NTSR1 P30989 1/20 0.53
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CD74 P04233 1/20 0.46
MIF P14174 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2A P29274 1/20 0.45
CTRC Q99895 1/20 0.45
DHODH Q02127 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL3451123 0.96 MEN1 (0.52) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL6752343 0.85 MEN1 (0.63) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL7376864 0.80 ADORA3 (0.46) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL3451092 0.80 ALOX5 (0.44) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL3307656 0.79 MEN1 (0.68) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL22036101 0.79 MEN1 (0.52) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL11241344 0.78 CRHBP (0.50) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL7373421 0.78 MCL1 (0.59) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3451102 0.76 ADORA2A (0.73) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL4297486 0.76 KMT2A (0.51) MEN1KMT2ANTSR1ALDH1A1MAPT

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-6372751-B1 DRUGS WITH BENZENE AND PYRIMIDINE RINGS BERLEX LABORATORIES, INC. 2002-04-16 US disclosed
EP-1135131-A4 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LAB (US) 2002-01-02 EP disclosed
EP-1135131-A1 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-09-26 EP disclosed
US-6127376-A A BLOOD FACTOR XA ENZYME INHIBITOR TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. (US) 2000-10-03 US disclosed
WO-2000033844-A1 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LATORATORIES, INC. (US) 2000-06-15 WO disclosed