SCHEMBL9178785

SCHEMBL9178785

CC(Cc1cccc([N+](=O)[O-])c1)NC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
ESR1 P03372 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 2/20 0.46
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9178787 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL9180559 0.88 SMN1; SMN2 (0.49) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL10866376 0.86 TSHR (0.46) SMN1; SMN2TP53RAB9AMEN1KMT2A
SCHEMBL11691410 0.84 KMT2A (0.61) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL11691407 0.84 KMT2A (0.61) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL2823929 0.84 SMN1; SMN2 (0.59) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL2823927 0.84 SMN1; SMN2 (0.59) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL11507860 0.83 CYP2D6 (0.56) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL11511887 0.81 MEN1 (0.57) SMN1; SMN2NPC1TP53RAB9AMEN1
SCHEMBL3060705 0.81 MAPT (0.51) SMN1; SMN2NPC1TP53RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371253-B1 Method and reagents for detecting amphetamine and/or d-methamphetamine in biological samples ABBOTT LAB (US) 1995-09-13 EP disclosed
US-5262333-A Fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1993-11-16 US disclosed
EP-0371253-A2 Method and reagents for detecting amphetamine and/or d-methamphetamine in biological samples ABBOTT LABORATORIES (US) 1990-06-06 EP disclosed