SCHEMBL7716604

SCHEMBL7716604

O=c1ccnc2cc(C(F)(F)F)[nH]n12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 9/20 0.58
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM5B Q9UGL1 1/20 0.33
AR P10275 1/20 0.33
TYMP P19971 1/20 0.32

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
SCHEMBL7717364 0.74 KDM4E (0.56) RAD51ADORA3KDM4E
SCHEMBL7719484 0.70 KDM4C (0.41) ADORA3KDM5B
SCHEMBL4612369 0.64 ABCC9 (0.66) RAD51ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL545036 0.63 LOXL2 (0.46) RAD51ADORA3KDM4E
SCHEMBL29456039 0.63 RAD51 (0.45) RAD51ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30614458 0.63 SPR (0.42) RAD51KDM4E
SCHEMBL1967534 0.61 KDM4E (0.43) KDM4E
SCHEMBL4338412 0.58 ADRB1 (0.46) KDM4EAR
SCHEMBL11483364 0.57 ALKBH5 (0.54) KDM4E
SCHEMBL4625039 0.56 KDM4E (0.71) RAD51ABCC9ABCC8KCNJ11KCNJ8

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-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US disclosed
US-6179882-B1 OXIDATION COLOR DYES L'OREAL (FR) 2001-01-30 US disclosed