SCHEMBL11405299

SCHEMBL11405299

Cc1ccccc1N=Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
PKM P14618 2/20 0.55
MAPK1 P28482 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
THPO P40225 1/20 0.55
CHRM5 P08912 1/20 0.55
GRM5 P41594 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
MPI P34949 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NFE2L2 Q16236 6/20 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
SCHEMBL11414189 0.83 RAB9A (0.58) RAB9ANPC1PKMMAPK1CYP1A2
SCHEMBL11414186 0.83 RAB9A (0.58) RAB9ANPC1PKMMAPK1CYP1A2
SCHEMBL11416377 0.81 RAB9A (0.49) RAB9ANPC1PKMMAPK1CYP1A2
SCHEMBL11416379 0.81 RAB9A (0.49) RAB9ANPC1PKMMAPK1CYP1A2
SCHEMBL11410693 0.81 ALDH1A1 (0.46) RAB9ANPC1PKMMAPK1MAPT
SCHEMBL11403669 0.80 CHRM5 (0.55) RAB9ANPC1PKMCYP1A2CYP2D6
SCHEMBL5074324 0.80 CYP2C9 (0.52) RAB9ANPC1PKMBLMMAPT
SCHEMBL7636431 0.80 CYP2C9 (0.52) RAB9ANPC1PKMBLMMAPT
SCHEMBL11407057 0.80 NFE2L2 (0.49) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL11403855 0.78 CA12 (0.48) RAB9ANPC1PKMMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed