SCHEMBL28601517

SCHEMBL28601517

Clc1cncc(Br)c1.NNC=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
S100A9 P06702 1/20 0.38
EGFR P00533 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
SMYD3 Q9H7B4 2/20 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
SCHEMBL28296609 0.86 KDM4E (0.50) KDM4EEGFRHCAR2POLBKMT2A
Formic Acid SCHEMBL28134489 0.82 HCAR2 (0.44) KDM4ES100A9EGFRHCAR2POLB
SCHEMBL504658 0.82
Formaldehyde SCHEMBL28841438 0.80 HCAR2 (0.43) KDM4ES100A9EGFRHCAR2POLB
Ammonia Solution, Strong SCHEMBL362877 0.80
Hydrochloric Acid SCHEMBL29131079 0.80
Formic Acid Methyl Ester SCHEMBL28134488 0.78 HCAR2 (0.36) S100A9HCAR2POLB
Cyanide SCHEMBL28048369 0.76 HCAR2 (0.39) KDM4ES100A9EGFRHCAR2POLB
SCHEMBL29207918 0.74 KDM4E (0.40) KDM4EHCAR2POLBKMT2AMEN1
Tert-Butyl Formate SCHEMBL27936945 0.73 TDP1 (0.42) S100A9EGFRKMT2AMEN1

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-107849027-B Pesticidally active 1,2, 4-triazole derivatives with sulphur-containing substituents 先正达参股股份有限公司 2021-03-12 CN disclosed