SCHEMBL11565255

SCHEMBL11565255

N#Cc1ccccc1Cc1cc(Br)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
CYP19A1 P11511 1/20 0.35
MPO P05164 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2153612 0.77 CYP19A1 (0.48) SMN1; SMN2MAPTHPGDCYP1A2CYP19A1
SCHEMBL11774401 0.76 PNMT (0.42) SMN1; SMN2POLBMAPTLMNAMPO
SCHEMBL20267786 0.75 ALDH1A1 (0.59) SMN1; SMN2MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL26988712 0.75 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPTHPGDMEN1
SCHEMBL7090232 0.73 POLB (0.47) POLBMAPTCYP3A4MPO
SCHEMBL109902 0.72 MAOB (0.41) SMN1; SMN2POLBMAPTHPGDCYP3A4
SCHEMBL29920826 0.72 MAOB (0.41) SMN1; SMN2POLBMAPTHPGDCYP3A4
SCHEMBL1758970 0.71 CSNK2A1 (0.49) POLBMAPTMEN1KMT2AALOX15
Bromide SCHEMBL7394464 0.70 MAOB (0.40) SMN1; SMN2POLBMAPTHPGDCYP3A4
SCHEMBL22231728 0.70 TSHR (0.37) CYP3A4CYP1A2CYP2C9CYP2C19MEN1

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
EP-0001655-A2 Compositions comprising as active ingredients cyanobenzyl(idene)-aniline derivatives, the use of the compositions as plant growth regulants and a method for the preparation of the active ingredients SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-05-02 EP claimed