SCHEMBL11255838

SCHEMBL11255838

Cc1cc(-c2ccc(O)c([N+](=O)[O-])c2)cc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
ABCC1 P33527 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTSB P07858 1/20 0.48
CTSH P09668 1/20 0.48
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL11380828 0.87 GPR35 (0.50) MAPTALDH1A1HPGDABCC1ABCG2
SCHEMBL11266563 0.84 MAPT (0.49) MAPTALDH1A1MAPK1HPGDABCC1
SCHEMBL9306308 0.84 MAPT (0.62) MAPTALDH1A1MAPK1HPGDTP53
SCHEMBL29484215 0.84 MAPT (0.67) MAPTALDH1A1MAPK1HPGDTP53
SCHEMBL4368126 0.84 MAPT (0.67) MAPTALDH1A1MAPK1HPGDTP53
SCHEMBL15266199 0.78 ABCG2 (0.54) MAPTALDH1A1MAPK1HPGDABCC1
SCHEMBL11220965 0.77 MAPT (0.51) MAPTALDH1A1MAPK1TSHRALOX15
SCHEMBL11277169 0.77 MAPT (0.56) MAPTALDH1A1ABCC1CYP2C19KMT2A
SCHEMBL11263131 0.77 QDPR (0.56) MAPTALDH1A1MAPK1HPGDABCC1
SCHEMBL3559913 0.76 CRHBP (0.68) MAPTALDH1A1MAPK1HPGDABCC1

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-4366319-A Process for preparing 5-(pyridinyl)benzoxazol-2(3H)-ones STERLING DRUG INC. (US) 1982-12-28 US disclosed
US-4310531-A 5-(Pyridinyl)-benzoxazol-2(3H)-ones and their use as cardiotonics STERLING DRUG INC. (US) 1982-01-12 US disclosed