SCHEMBL11231017

SCHEMBL11231017

[N-]=[N+]=NNCc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MIF P14174 2/20 0.45
IDO1 P14902 2/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MLYCD O95822 1/20 0.45
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
HTR2C P28335 1/20 0.44
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL541044 0.76 TAAR1 (0.58) ACP3TAAR1MIFIDO1FFAR1
SCHEMBL4239980 0.76 DPP7 (0.59) ACP3TAAR1MIFIDO1MLYCD
SCHEMBL16363565 0.76 MIF (0.57) ACP3TAAR1MIFIDO1HTR2A
SCHEMBL14270209 0.74 MIF (0.60) ACP3TAAR1MIFIDO1HTR2A
SCHEMBL28357147 0.74 IDO1 (0.43) IDO1MEN1CYP3A4GAAKMT2A
SCHEMBL18901273 0.73 TAAR1 (0.55) ACP3TAAR1MIFIDO1FFAR1
SCHEMBL15129325 0.73 TAAR1 (0.55) ACP3TAAR1MIFIDO1MLYCD
SCHEMBL29988585 0.73 MRGPRX4 (0.57) ACP3TAAR1MIFIDO1MLYCD
SCHEMBL4368141 0.73 TAAR1 (0.59) ACP3TAAR1MIFIDO1MLYCD
SCHEMBL46769 0.73 MLYCD (0.55) ACP3TAAR1IDO1FFAR1FFAR4

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-4343647-A Substituted benzyltrialkylammonium salts and their use as plant growth regulatory control agents THE DOW CHEMICAL COMPANY (US) 1982-08-10 US disclosed