SCHEMBL21736972

SCHEMBL21736972

CCc1cnccc1-n1nnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ RAB9A P51151 1/20 0.44
▸ SLC9A1 P19634 7/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP4Z1 Q86W10 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL18599169 0.75 KCNMA1 (0.55) KCNMA1RAB9ASLC9A1KEAP1SMN1; SMN2
SCHEMBL12835952 0.74 RAB9A (0.54) KCNMA1ALDH1A1RAB9ASLC9A1KEAP1
SCHEMBL12204520 0.72 KCNMA1 (0.49) KCNMA1ALDH1A1RAB9ASLC9A1KEAP1
SCHEMBL1938292 0.72 KCNMA1 (0.53) KCNMA1RAB9ASLC9A1KEAP1TSHR
SCHEMBL30049983 0.72 KCNMA1 (0.53) KCNMA1RAB9ASLC9A1KEAP1TSHR
SCHEMBL6921469 0.72 KCNMA1 (0.49) KCNMA1ALDH1A1RAB9ASLC9A1MKNK2
SCHEMBL21467623 0.72 RAB9A (0.46) KCNMA1ALDH1A1RAB9ASLC9A1KEAP1
SCHEMBL11025009 0.71 SLC9A1 (0.52) KCNMA1RAB9ASLC9A1TSHRCYP4Z1
SCHEMBL26227380 0.71 MAPT (0.51) KCNMA1ALDH1A1RAB9ASLC9A1SMN1; SMN2
SCHEMBL3906689 0.71 KCNMA1 (0.63) KCNMA1ALDH1A1RAB9ASLC9A1KEAP1

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
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 — — EP disclosed
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