SCHEMBL7717758

SCHEMBL7717758

CC(=NN=C(N)c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOS2 P35228 2/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
NOS3 P29474 2/20 0.38
ATM Q13315 2/20 0.37
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
NOS1 P29475 1/20 0.35
CTSD P07339 1/20 0.35
LMNA P02545 1/20 0.35
METTL3 Q86U44 1/20 0.35

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
SCHEMBL7717755 1.00 MEN1 (0.41) MEN1KMT2ATDP1L3MBTL1NOS2
SCHEMBL7717293 0.90 LMNA (0.39) MEN1KMT2ANOS2NOS3CYP2D6
SCHEMBL7717290 0.90 LMNA (0.39) MEN1KMT2ANOS2NOS3CYP2D6
SCHEMBL18938347 0.78 KMT2A (0.61) MEN1KMT2ATDP1L3MBTL1GRIN1
SCHEMBL22044257 0.71 CYP2D6 (0.66) MEN1KMT2ATDP1L3MBTL1GRIN1
SCHEMBL29506425 0.70 L3MBTL1 (0.41) TDP1L3MBTL1NOS2POLBALDH1A1
SCHEMBL20017352 0.69 MEN1 (0.50) MEN1KMT2ATDP1L3MBTL1GRIN1
SCHEMBL5013786 0.68 TDP1 (0.54) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL24022828 0.67 NPC1 (0.61) MEN1KMT2AGRIN1GRIN2BPOLB
SCHEMBL22044441 0.67 PARP1 (0.55) TDP1L3MBTL1POLBHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US claimed
US-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US disclosed