SCHEMBL7717280

SCHEMBL7717280

NC(=NN=Cc1ccc(Br)o1)c1cnccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.38
BAZ2B Q9UIF8 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.34
CYP2A6 P11509 3/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL7717275 1.00 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL7717278 1.00 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL6952055 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL6952053 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL6952059 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL7719398 0.84 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL7719401 0.84 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL7716554 0.81 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL7716552 0.81 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL7716557 0.81 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1GAA

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