SCHEMBL9542786

SCHEMBL9542786

CC(C)(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])P(=O)(O)O.CCCCCC(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])P(=O)(O)O.O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC(c1ccccc1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
ALDH1A1 P00352 4/20 0.45
KCNMA1 Q12791 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 4/20 0.37
HTT P42858 4/20 0.37
GLA P06280 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 2/20 0.36
AKR1B1 P15121 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
SCHEMBL7356554 0.86 MAPT (0.55) MAPTALDH1A1KCNMA1MEN1KMT2A
SCHEMBL7350188 0.82 MAPT (0.58) MAPTALDH1A1KCNMA1MEN1KMT2A
SCHEMBL7955855 0.77 MAPK1 (0.55) MAPTALDH1A1KCNMA1MEN1KMT2A
SCHEMBL7358391 0.71 PLK1 (0.40) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7350226 0.69 MAPT (0.65) MAPTALDH1A1KCNMA1MEN1KMT2A
SCHEMBL7358247 0.68 MAPT (0.61) MAPTALDH1A1KCNMA1MEN1KMT2A
SCHEMBL7355650 0.67 MAPT (0.62) MAPTALDH1A1KCNMA1MEN1KMT2A
SCHEMBL28745633 0.66 MAPT (0.70) MAPTALDH1A1KCNMA1MEN1KMT2A
SCHEMBL7359035 0.65 KDM4E (0.52) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL116538 0.65 MAPK1 (0.62) MAPTALDH1A1KCNMA1MEN1KMT2A

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
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed