SCHEMBL31633615

SCHEMBL31633615

O=C(OC(=O)c1ccccn1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
L3MBTL1 Q9Y468 6/20 0.61
LMNA P02545 2/20 0.61
NAPRT Q6XQN6 1/20 0.61
P4HTM Q9NXG6 1/20 0.61
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.55
GSK3B P49841 1/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
THRB P10828 1/20 0.50
MITF O75030 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL1228223 1.00 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL27454868 0.90 KMT2A (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL31390431 0.90 CES2 (0.53) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL27505714 0.90 L3MBTL1 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL9221780 0.88 CES2 (0.55) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL5694342 0.88 ALDH1A1 (0.62) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL28113661 0.87 KDM4E (0.51) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL8345410 0.87 CES2 (0.50) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL28937499 0.86 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL29120006 0.86 CES2 (0.53) CES2CES1L3MBTL1LMNANAPRT

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-120192327-A Preparation method of pyridine dicarboxylic anhydride solution 张家港市国泰华荣化工新材料有限公司 2025-06-24 CN claimed