SCHEMBL5507245

SCHEMBL5507245

C(=Cc1ncccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL17165431 0.91 CHEK1 (0.46) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL17165433 0.91 CHEK1 (0.46) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL30019890 0.90 TOP1 (0.41) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL27515438 0.89 CHEK1 (0.47) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL9000310 0.87 TOP1 (0.42) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL28911102 0.81 PTGS1 (0.41) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL27515439 0.81 CASP3 (0.50) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL57903 0.78 MEN1 (0.56) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL57902 0.78 MEN1 (0.56) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL4402384 0.77 NISCH (0.42) ALDH1A1RAB9ANPC1TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007110540-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING AN ALKOXY/HYDROXY GROUPING, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2007-10-04 WO disclosed