SCHEMBL9474307

SCHEMBL9474307

Nc1nc2cc([N+](=O)[O-])c(OC(F)(F)F)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
CYP3A4 P08684 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SCN4A P35499 2/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
SLC6A2 P23975 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL9474730 0.79 RAB9A (0.59) GAACYP3A4RAB9ANPC1SCN4A
SCHEMBL16276940 0.76 RAB9A (0.56) GAACYP3A4RAB9ANPC1SCN4A
SCHEMBL8433950 0.76 RAB9A (0.56) GAACYP3A4RAB9ANPC1SCN4A
SCHEMBL8435128 0.75 CYP3A4 (0.55) GAACYP3A4RAB9ANPC1SCN4A
SCHEMBL31717819 0.75 GAA (0.68) GAACYP3A4RAB9ASCN4ATP53
SCHEMBL31388416 0.75 GAA (0.68) GAACYP3A4RAB9ASCN4ATP53
SCHEMBL10598844 0.75 GAA (0.88) GAACYP3A4RAB9ANPC1SCN4A
SCHEMBL9637095 0.74 GAA (0.46) GAACYP3A4RAB9ANPC1SCN4A
SCHEMBL9190473 0.74 MAPT (0.65) GAACYP3A4RAB9ANPC1SCN4A
SCHEMBL17610032 0.73 RAB9A (0.56) GAACYP3A4RAB9ANPC1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236940-A Administering for treatment of medical conditions associated with the effects of glutamate; glutamate-induced convulsions; schizophrenia; sleep disorders RHONE-POULENC SANTE (FR) 1993-08-17 US disclosed