SCHEMBL11337458

SCHEMBL11337458

C=Cc1ccc(CNc2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.45
FFAR1 O14842 3/20 0.45
PTPRF P10586 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN11 Q06124 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
KCNH3 Q9ULD8 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 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
SCHEMBL28555620 0.93 MEN1 (0.53) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11781819 0.90 HTT (0.58) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19018313 0.86 HTT (0.61) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11340299 0.85 MAPT (0.56) MEN1KMT2AHTTFFAR1ALDH1A1
SCHEMBL290949 0.84 ALDH1A1 (0.62) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2741249 0.82 HTT (0.67) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Benzene SCHEMBL7583977 0.80 ALDH1A1 (0.58) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28853561 0.79 ALDH1A1 (0.40) MEN1KMT2AHTTFFAR1FFAR4
SCHEMBL17283641 0.78 ALDH1A1 (0.54) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
Diphenylamine SCHEMBL2427538 0.78 ALDH1A1 (0.70) MEN1CYP1A2CYP3A4CYP2C9CYP2C19

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-4298522-A HEAT AND AGING RESISTANCE NIPPON ZEON CO. LTD. (JP) 1981-11-03 US disclosed