SCHEMBL7269602

SCHEMBL7269602

O=[N+]([O-])c1cccc(N=Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 8/20 0.48
ALDH1A1 P00352 7/20 0.48
RAB9A P51151 2/20 0.48
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
MPI P34949 1/20 0.41

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
SCHEMBL7269599 1.00 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7269620 0.91 MAPT (0.48) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7269616 0.91 MAPT (0.48) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7267404 0.89 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7267400 0.89 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7263152 0.85 MAPT (0.55) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7263179 0.85 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7263178 0.85 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7263154 0.85 MAPT (0.55) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7269589 0.84 FNTA (0.50) MEN1KMT2AMAPTALDH1A1RAB9A

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-6653353-B2 Hair styling anionic polymer and fluoroamines mixture improves the holding power of styling resins under high humidity conditions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-11-25 US disclosed
US-20020176834-A1 Cosmetic and personal care compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-11-28 US disclosed