SCHEMBL8587726

SCHEMBL8587726

NC(=O)c1c(Cl)ccc(Cl)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.64
CXCR2 P25025 2/20 0.49
CXCR1 P25024 1/20 0.49
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.39
F2 P00734 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
PBRM1 Q86U86 1/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
INSR P06213 1/20 0.36
CDK1 P06493 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
SCHEMBL206180 0.85 DPP4 (0.47) DPP4CXCR2CXCR1KMT2AATM
SCHEMBL342262 0.78 DPP4 (1.00) DPP4KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL29375924 0.78 DPP4 (1.00) DPP4KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL5173385 0.77 CYP3A4 (0.50) DPP4CXCR2CXCR1KMT2AATM
SCHEMBL3882121 0.77 TDP1 (0.47) DPP4CXCR2CXCR1KMT2AALDH1A1
SCHEMBL16619328 0.76 DPP4 (0.95) DPP4KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL29113265 0.76 DPP4 (0.95) DPP4KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL8074851 0.76 DPP4 (0.64) DPP4KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL16824105 0.76 DPP4 (0.95) DPP4KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL9450686 0.76 DPP4 (0.58) DPP4CXCR2CXCR1KMT2AATM

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
JP-10007615-A None JP disclosed
JP-H107615-A PRODUCTION OF 3,6-DICHLORO-2-HYDROXY BENZOIC ACID AND INTERMEDIATE FOR PRODUCTION THEREOF NIPPON KEMUSHISU KK 1998-01-13 JP disclosed