SCHEMBL9166565

SCHEMBL9166565

O=C(c1ccccc1)c1cnc2c(-c3ccc(Sc4ccccc4)cc3)cnn2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 5/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
STAT1 P42224 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 7/20 0.38
GAA P10253 1/20 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
SCHEMBL9165136 0.90 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9166593 0.87 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9165610 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9249819 0.87 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9169128 0.84 RAB9A (0.43) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9165500 0.84 KDR (0.44) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9173612 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9168507 0.82 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9253678 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9168201 0.82 NPC1 (0.67) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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
US-5420128-A Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0503099-A1 PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP disclosed