SCHEMBL8875286

SCHEMBL8875286

O=C(O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
PDE10A Q9Y233 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DHODH Q02127 6/20 0.55
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
POLB P06746 2/20 0.49
PPARA Q07869 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL2806171 0.81 ALDH1A1 (0.63) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL30445649 0.81 ALDH1A1 (0.63) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL18362838 0.81 KDM4E (0.57) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL5063123 0.79 KDM4E (0.54) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL8946524 0.77 ALDH1A1 (0.66) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL28620059 0.74 DHODH (0.51) KDM4ELMNASMN1; SMN2DHODHALDH1A1
Cinchophen SCHEMBL25519 0.74 KDM4E (1.00) KDM4EPDE10ALMNASMN1; SMN2DHODH
Cinchophen SCHEMBL29376617 0.74 KDM4E (1.00) KDM4EPDE10ALMNASMN1; SMN2DHODH
Cinchophen SCHEMBL7588217 0.74 KDM4E (1.00) KDM4EPDE10ALMNASMN1; SMN2DHODH
Cinchophen SCHEMBL10757475 0.72 KDM4E (0.97) KDM4EPDE10ALMNASMN1; SMN2DHODH

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-5621027-A Dyestuffs for bulk dyeing plastics BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
EP-0683212-A1 New dyes for the bulk dyeing of synthetic materials BAYER AG (DE) 1995-11-22 EP disclosed