SCHEMBL7598746

SCHEMBL7598746

NCN(c1ccccc1)c1ccccc1.NN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.45
TSHR P16473 2/20 0.41
KCNH2 Q12809 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CYP2A6 P11509 1/20 0.40
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NR3C2 P08235 1/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL544819 0.88 AOC3 (0.56) AOC3TSHRLOXL2CARM1PRMT6
Hydrochloric Acid SCHEMBL4825334 0.86 AOC3 (0.54) AOC3TSHRLOXL2CARM1PRMT6
SCHEMBL2973579 0.81 TAAR1 (0.43) AOC3KCNH2LOXL2CYP2A6HTR2A
SCHEMBL28980138 0.74 AOC3 (0.47) AOC3TSHRALDH1A1
SCHEMBL9879437 0.74 SLC6A2 (0.47) AOC3TSHRTAAR1
SCHEMBL12016039 0.74 TP53 (0.50) AOC3TSHRCARM1PRMT6PRMT8
SCHEMBL918512 0.74 NR3C2 (0.56) AOC3TSHRKCNH2SMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL9518503 0.73 SLC6A2 (0.46) AOC3
Hydrochloric Acid SCHEMBL9518675 0.73 ESR1 (0.46) AOC3TSHRKCNH2ALDH1A1
SCHEMBL9446230 0.72 NR3C2 (0.59) AOC3TSHRKCNH2SMN1; SMN2TAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166922-A1 PROCESS FOR THE PRODUCTION OF DI- AND POLYAMINES OF THE DIPHENYLMETHANE SERIES Covestro Deutschland AG (DE) 2017-05-17 EP disclosed
WO-2016005269-A1 PROCESS FOR THE PRODUCTION OF DI- AND POLYAMINES OF THE DIPHENYLMETHANE SERIES COVESTRO DEUTSCHLAND AG (DE) 2016-01-14 WO disclosed
EP-1257522-A1 METHOD FOR PRODUCTION OF DIAMINODIPHENYLMETHANES Bayer Aktiengesellschaft (DE) 2002-11-20 EP disclosed
WO-2001058847-A1 METHOD FOR PRODUCTION OF DIAMINODIPHENYLMETHANES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-16 WO disclosed