SCHEMBL21742200

SCHEMBL21742200

COC(=O)Nc1cccc(CO)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
GRM5 P41594 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CCNK O75909 1/20 0.40
DDB1 Q16531 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20935227 0.86 ALDH1A1 (0.49) RAB9ANPC1CHRNB2CHRNB4CHRNA3
SCHEMBL20935123 0.84 ALDH1A1 (0.51) NR3C2RAB9ANPC1CHRNB2CHRNB4
SCHEMBL465792 0.84 CCR2 (0.42) NR3C2RAB9ANPC1CHRNB2CHRNB4
SCHEMBL30396325 0.84 CCR2 (0.42) NR3C2RAB9ANPC1CHRNB2CHRNB4
SCHEMBL20935125 0.83 CHRNB2 (0.50) RAB9ANPC1CHRNB2CHRNB4CHRNA3
SCHEMBL27697741 0.83 KDM4E (0.57) NR3C2RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL20935120 0.82 SMN1; SMN2 (0.47) GRM5SMN1; SMN2CCNKDDB1CDK12
SCHEMBL14879934 0.81 RAB9A (0.50) RAB9ANPC1CHRNB2CHRNB4CHRNA3
SCHEMBL30395909 0.81 RAB9A (0.50) RAB9ANPC1CHRNB2CHRNB4CHRNA3
SCHEMBL465793 0.81 KMT2A (0.46) RAB9ANPC1CHRNB2CHRNB4CHRNA3

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-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed