SCHEMBL31361069

SCHEMBL31361069

NC(=O)c1c(Nc2ccccc2)cc(Cl)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 4/20 0.44
GAA P10253 3/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 1/20 0.43
PPARA Q07869 2/20 0.42
CYP1A2 P05177 1/20 0.42
GFER P55789 2/20 0.42
NGLY1 Q96IV0 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
POLB P06746 1/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL10168708 1.00 CXCR2 (0.44) CXCR2ALDH1A1HTTGAAALOX15
SCHEMBL31361067 1.00 CXCR2 (0.44) CXCR2ALDH1A1HTTGAAALOX15
SCHEMBL10168724 0.88 MAPT (0.47) ALDH1A1HTTGAAALOX15TDP1
SCHEMBL10168705 0.82 AKR1C3 (0.42) CXCR2GAAALOX15MAPTKDM4E
SCHEMBL31361085 0.76 JAK2 (0.46) ALDH1A1HTTCDK2
SCHEMBL31361068 0.76 ALDH1A1 (0.44) ALDH1A1HTTMAPTHPGDHSD17B10
SCHEMBL31361077 0.76 RAB9A (0.52) ALDH1A1HTTGAAMAPTKDM4E
SCHEMBL894648 0.75 JAK2 (0.49) ALDH1A1HTTMAPTHPGDKMT2A
SCHEMBL15096265 0.75 SYK (0.68) CXCR2ALDH1A1HTTGAAALOX15
SCHEMBL21596400 0.73 JAK3 (0.55) MAPTGFERNGLY1SIRT2SIRT1

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-119176820-A Tricyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-12-24 CN disclosed