SCHEMBL10954635

SCHEMBL10954635

CC(=O)CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 3/20 0.71
RAB9A P51151 6/20 0.71
KDM4E B2RXH2 6/20 0.71
ALDH1A1 P00352 5/20 0.71
NPC1 O15118 5/20 0.71
MAPT P10636 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
HPGD P15428 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
TP53 P04637 2/20 0.71
POLB P06746 2/20 0.71
MMP2 P08253 3/20 0.69
MMP13 P45452 3/20 0.69
MMP9 P14780 2/20 0.69
MMP8 P22894 2/20 0.69
ADRB2 P07550 1/20 0.65
LMNA P02545 1/20 0.62
RECQL P46063 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL8870782 0.87 HPSE (0.71) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL2244714 0.87 HPSE (0.79) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL8820296 0.86 MMP2 (0.82) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL2244957 0.85 SMN1; SMN2 (0.77) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL8870051 0.85 MMP2 (0.80) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL8820325 0.85 MMP2 (0.80) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL8820321 0.85 MMP2 (0.80) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL8818644 0.85 MMP2 (0.80) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL6533676 0.84 HPSE (1.00) HPSERAB9AKDM4EALDH1A1NPC1
SCHEMBL943034 0.84 HPSE (1.00) HPSERAB9AKDM4EALDH1A1NPC1

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
US-4491481-A Organic pigment compositions containing an azo compound with a heterocyclic substituent CIBA-GEIGY CORPORATION (US) 1985-01-01 US disclosed