Diphenylamine

Diphenylamine

SCHEMBL10456263

C(/C=C/c1ccccc1)=C\c1ccccc1.c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.70
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 5/20 0.57
MAPK1 P28482 3/20 0.57
ALOX12 P18054 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
PTGS2 P35354 1/20 0.57
HTR2B P41595 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 3/20 0.52
TRPA1 O75762 1/20 0.52
ALOX5 P09917 1/20 0.52
MAPT P10636 4/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
Diphenylamine SCHEMBL7165382 1.00 MAOB (0.70) MAOBHSD17B10ALDH1A1MAPK1ALOX12
SCHEMBL13863540 0.95 MAOB (0.64) MAOBHSD17B10ALDH1A1MAPK1ALOX12
SCHEMBL14570386 0.95 MAOB (0.64) MAOBHSD17B10ALDH1A1MAPK1ALOX12
SCHEMBL17486896 0.93 MAOB (0.67) MAOBHSD17B10ALDH1A1MAPK1ALOX12
SCHEMBL14255742 0.93 ALDH1A1 (0.62) MAOBHSD17B10ALDH1A1MAPK1ALOX12
SCHEMBL17486897 0.91 MAOB (0.64) MAOBHSD17B10ALDH1A1MAPK1ALOX12
(Z)-1,2-Diphenylethene SCHEMBL1877462 0.90 HSD17B10 (0.67) MAOBHSD17B10ALDH1A1MAPK1ALOX12
Diphenylamine SCHEMBL7782610 0.87 HSD17B10 (0.63) MAOBHSD17B10ALDH1A1MAPK1ALOX12
SCHEMBL465277 0.85 ALDH1A1 (0.65) MAOBHSD17B10ALDH1A1MAPK1ALOX12
SCHEMBL465276 0.85 ALDH1A1 (0.65) MAOBHSD17B10ALDH1A1MAPK1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4897436-A REACTION PRODUCT OF ISOPROPENYL PHENOLS OR BISPHENOLS WITH DIPHENYLAMINES OR PHENOTHIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
US-4754066-A NITRILE RUBBERS, VULCANIZATES; REACTION PRODUCT OF MERCAPTO-CARBOXYLIC ACIDS AND 4-AMINODIPHENYLAMINE BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
US-4654387-A NITRILE RUBBERS BAYER AKTIENGESELLSCHAFT (DE) 1987-03-31 US disclosed