SCHEMBL7383151

SCHEMBL7383151

CN(C)c1ccc(-c2cc(O)nc(O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 9/20 0.45
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
SYK P43405 2/20 0.43
KDM4E B2RXH2 1/20 0.41
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADK P55263 1/20 0.39

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
SCHEMBL7376864 0.79 ADORA3 (0.46) MAPTKDM4EALDH1A1
SCHEMBL3451092 0.76 ALOX5 (0.44) MAPTATP4AATP4BKDM4EALDH1A1
SCHEMBL2120110 0.76 MAPT (0.50) MAPTSMN1; SMN2APPATP4AATP4B
SCHEMBL7381995 0.76 MEN1 (0.53) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7375465 0.75 DYRK1A (0.51) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3451123 0.75 MEN1 (0.52) MAPTSMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL8618775 0.75 MAPT (0.54) MAPTSMN1; SMN2APPSYKKDM4E
SCHEMBL10972840 0.71 MAPT (0.71) MAPTSMN1; SMN2APPATP4AATP4B
SCHEMBL7380578 0.70 MAP4K4 (0.48)
SCHEMBL8272630 0.70 SYK (0.52) MAPTSMN1; SMN2APPSYKKDM4E

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