SCHEMBL6950706

SCHEMBL6950706

NC(=NN=Cc1ccc([N+](=O)[O-])o1)c1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 2/20 0.53
MITF O75030 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
XBP1 P17861 1/20 0.53
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
TP53 P04637 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL6950703 1.00 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL6950702 1.00 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7711776 0.84 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7711780 0.84 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7715612 0.82 MAPT (0.57) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7715608 0.82 MAPT (0.57) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7715615 0.82 MAPT (0.57) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7717337 0.81 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7717334 0.81 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7717340 0.81 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2KDM4E

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
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
EP-1103549-B1 Photoprotective cosmetic compositions containing aminoamidine derivatives and uses thereof OREAL (FR) 2003-06-04 EP disclosed
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
EP-1103549-A1 Photoprotective cosmetic compositions containing aminoamidine derivatives and uses thereof L'OREAL (FR) 2001-05-30 EP disclosed