SCHEMBL3264513

SCHEMBL3264513

O=C(O)c1cc2ccncc2nc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KDM6B O15054 2/20 0.44
KDM4D Q6B0I6 2/20 0.44
KDM4A O75164 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
MITF O75030 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
DHODH Q02127 3/20 0.37
MCL1 Q07820 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL3788781 0.81 ALDH1A1 (0.61) KDM4CALDH1A1MEN1KMT2AKDM4E
SCHEMBL27805672 0.81 KEAP1 (0.46) KDM4CALDH1A1MEN1KMT2AKDM4E
SCHEMBL4460248 0.81 KDM4E (0.50) ALDH1A1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL28641926 0.79 KDM4C (0.41) KDM4CALDH1A1MEN1KMT2AKDM4E
SCHEMBL17747457 0.78 GABRP (0.46) KDM4CALDH1A1MEN1KMT2AKDM4E
SCHEMBL3789886 0.78 DHODH (0.42) KDM4CALDH1A1MEN1KMT2AKDM4E
SCHEMBL30681983 0.77 TSHR (0.45) ALDH1A1KDM4ECDC7DBF4
SCHEMBL26617508 0.77 TSHR (0.45) ALDH1A1KDM4ECDC7DBF4
SCHEMBL352221 0.77 IKBKB (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL31133499 0.77 IKBKB (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT

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-2010016846-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-02-11 WO disclosed