SCHEMBL28208832

SCHEMBL28208832

Cc1c(C(=O)O)cccc1C(=O)O.Nc1ccnn1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
NR4A3 Q92570 1/20 0.43
MAPK1 P28482 1/20 0.42
RIPK2 O43353 1/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL27914603 0.84 NR4A3 (0.44) POLBNR4A3MAPK1ALDH1A1KDM4E
SCHEMBL433371 0.79 POLB (1.00) POLBMAPK1RIPK2ALDH1A1KDM4E
SCHEMBL7826898 0.75 POLB (0.59) POLBHPGDALDH1A1KDM4EHSD17B10
SCHEMBL28840375 0.74 LMNA (0.46) MAPK1ALDH1A1KDM4ECYP2C9MAPT
Hydrazine SCHEMBL28166056 0.72 TSHR (0.57) POLBNR4A3HPGDALDH1A1KDM4E
Benzene SCHEMBL27265959 0.72 TSHR (0.61) POLBNR4A3HPGDALDH1A1KDM4E
SCHEMBL27703149 0.72 TSHR (0.61) POLBNR4A3HPGDALDH1A1KDM4E
SCHEMBL756585 0.72 TSHR (0.61) POLBNR4A3HPGDALDH1A1KDM4E
Oxirane SCHEMBL27573676 0.70 TSHR (0.52) POLBNR4A3HPGDALDH1A1KDM4E
SCHEMBL15428751 0.70 POLB (0.61) POLBRIPK2ALDH1A1KDM4ENPC1

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
CN-105585583-B A kind of non-peptides apoptosis inhibitory protein antagonist and its synthetic method and application 广东工业大学 2018-04-13 CN disclosed