SCHEMBL7009002

SCHEMBL7009002

c1ccc(NN2CN(Nc3ccccc3)CN(Nc3ccccc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
TDP1 Q9NUW8 6/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP1A2 P05177 2/20 0.43
CTSD P07339 1/20 0.43
TSHR P16473 4/20 0.41
ALOX12 P18054 3/20 0.41
PTGS2 P35354 2/20 0.41
ALOX15 P16050 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
CYP3A4 P08684 3/20 0.39
IDO1 P14902 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1756421 0.84 CYP1A2 (0.36) ALDH1A1TDP1HSD17B10CYP1A2CTSD
SCHEMBL4055295 0.83 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10CYP1A2CTSD
SCHEMBL1752645 0.79 KDM1A (0.50) ALDH1A1TDP1HSD17B10CYP1A2CTSD
SCHEMBL1829575 0.79 KDM1A (0.46) ALDH1A1TDP1HSD17B10CYP1A2CTSD
SCHEMBL73610 0.77 KDM1A (0.53) ALDH1A1TDP1CYP1A2CTSDCYP3A4
SCHEMBL7627201 0.77 KDM1A (0.53) ALDH1A1TDP1CYP1A2CTSDCYP3A4
Hydrochloric Acid SCHEMBL19996083 0.77 KDM1A (0.48) ALDH1A1TDP1HSD17B10CYP1A2CTSD
SCHEMBL17911056 0.77 KDM1A (0.53) ALDH1A1TDP1CYP1A2CTSDCYP3A4
SCHEMBL9500178 0.76 CYP1A2 (0.32) ALDH1A1TDP1CYP1A2ALOX12MAPT
SCHEMBL9500185 0.76 CYP1A2 (0.32) ALDH1A1TDP1HSD17B10CYP1A2TSHR

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-0969004-B1 2,4,6-Trianilino-1,3,5-triazine derivatives, their preparation and their use as sunscreens against UV-B sun radiations 3V SIGMA SPA (IT) 2003-12-10 EP disclosed
EP-0969004-A2 2,4,6-Trianilino-1,3,5-triazine derivatives, their preparation and their use as sunscreens against UV-B sun radiations 3V SIGMA S.p.A (IT) 2000-01-05 EP disclosed
US-4713428-A Branched polyesters CIBA-GEIGY CORPORATION (US) 1987-12-15 US disclosed
EP-0215740-A2 Branched polyesters CIBA-GEIGY AG (CH) 1987-03-25 EP disclosed