SCHEMBL30883267

SCHEMBL30883267

Cc1nc2ccccc2c(=O)n1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
KMT2A Q03164 3/20 0.67
CYP1A2 P05177 2/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
USP2 O75604 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ATM Q13315 1/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 2/20 0.54
PKM P14618 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL1428216 1.00 KDM4E (1.00) KDM4EKMT2ACYP1A2POLBCYP2C9
SCHEMBL3751629 0.80 KMT2A (1.00) KDM4EKMT2ACYP1A2POLBCYP2C9
SCHEMBL1101889 0.79 KDM4E (0.66) KDM4EKMT2ACYP1A2POLBALDH1A1
SCHEMBL1302793 0.79 KDM4E (0.66) KDM4EKMT2ACYP1A2POLBCYP2C9
SCHEMBL20102622 0.78 KMT2A (0.82) KDM4EKMT2ACYP1A2POLBCYP2C9
SCHEMBL1521056 0.78 KDM4E (0.64) KDM4EKMT2ACYP1A2POLBALDH1A1
SCHEMBL15362026 0.78 KDM4E (0.64) KDM4EKMT2ACYP1A2POLBCYP2C9
SCHEMBL22021637 0.78 KDM4E (0.64) KDM4EKMT2ACYP1A2POLBALDH1A1
SCHEMBL28019873 0.78 KDM4E (0.64) KDM4EKMT2ACYP1A2POLBALDH1A1
SCHEMBL27639917 0.78 KDM4E (0.64) KDM4EKMT2ACYP1A2POLBALDH1A1

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
CN-117985873-A Process for treating wastewater of acrylonitrile device 中国石油化工股份有限公司 2024-05-07 CN disclosed
CN-117964133-A Low-salt treatment process for acrylonitrile device wastewater 中国石油化工股份有限公司 2024-05-03 CN disclosed