SCHEMBL21022047

SCHEMBL21022047

CC(=O)C1C(c2ccc(C(F)(F)F)c(-n3nnc4ccccc43)c2)C1(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.38
KMT2A Q03164 2/20 0.36
TSHR P16473 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
TNKS O95271 1/20 0.32
F12 P00748 1/20 0.32

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
SCHEMBL21021687 0.78 GAA (0.40) KCNMA1KMT2ATSHRMAPTLMNA
SCHEMBL21021660 0.76 KCNMA1 (0.39) KCNMA1KMT2ATSHRMAPTLMNA
SCHEMBL21021644 0.69 ADRA2A (0.39) KMT2AMAPTLMNAALDH1A1SLC9A1
SCHEMBL21535126 0.66 KMT2A (0.49) KCNMA1KMT2ATSHRMAPTLMNA
SCHEMBL21021811 0.66 TNKS (0.36) KCNMA1KMT2ATSHRMAPTALDH1A1
SCHEMBL20821940 0.65 KCNMA1 (0.46) KCNMA1KMT2ATSHRMAPTLMNA
SCHEMBL20821949 0.63 KCNMA1 (0.43) KCNMA1KMT2ATSHRMAPTLMNA
SCHEMBL18146547 0.62 NOTUM (0.42) KMT2ALMNAALDH1A1RECQLNPSR1
SCHEMBL18146543 0.62 NOTUM (0.42) KMT2ALMNAALDH1A1RECQLNPSR1
SCHEMBL18145943 0.62 KDM1A (0.43) KMT2ALMNAALDH1A1SLC9A1RECQL

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed