SCHEMBL10885693

SCHEMBL10885693

CC(=O)Cc1nc2cc(C)c(C)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
ATM Q13315 2/20 0.60
PSMD14 O00487 1/20 0.60
MMP2 P08253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
F10 P00742 1/20 0.48
FABP6 P51161 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MCL1 Q07820 1/20 0.46
HSD17B10 Q99714 2/20 0.46
MITF O75030 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
PDE10A Q9Y233 1/20 0.45
F9 P00740 3/20 0.44
TUBB4A P04350 1/20 0.43

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
SCHEMBL31735460 0.87 MEN1 (0.60) MEN1MAPTKMT2AATMPSMD14
SCHEMBL19115947 0.83 MAPT (0.61) MEN1MAPTKMT2AATMPSMD14
SCHEMBL3382220 0.81 HSD17B10 (0.66) MEN1MAPTKMT2AATMPSMD14
SCHEMBL10881198 0.81 KMT2A (0.64) MEN1KMT2AHSD17B10F9HPSE
SCHEMBL10881191 0.81 RAB9A (0.56) MEN1MAPTKMT2AKDM4EHSD17B10
SCHEMBL20313097 0.79 LMNA (0.46) MEN1MAPTKMT2AATMPSMD14
SCHEMBL11222676 0.79 KMT2A (0.68) MEN1MAPTKMT2AATMPSMD14
SCHEMBL7853107 0.78 KMT2A (0.72) MEN1MAPTKMT2AATMPSMD14
SCHEMBL30701865 0.78 KMT2A (0.72) MEN1MAPTKMT2AATMPSMD14
SCHEMBL5897142 0.78 KMT2A (0.57) MEN1MAPTKMT2AATMPSMD14

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
EP-0093369-B1 REACTIVE DYES BAYER AG (DE) 1986-07-23 EP disclosed
EP-0073998-B1 METAL COMPLEX DYESTUFFS BAYER AG (DE) 1985-10-09 EP disclosed
EP-0093369-A2 Reactive dyes BAYER AG (DE) 1983-11-09 EP disclosed
EP-0073998-A2 Metal complex dyestuffs BAYER AG (DE) 1983-03-16 EP disclosed