SCHEMBL21020940

SCHEMBL21020940

C=Cc1cc(NC)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.34
APP P05067 2/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL11132613 0.83 EGFR (0.38) EGFRAPPTSHRMAPTLMNA
SCHEMBL23432350 0.83 EGFR (0.40) EGFRAPPTSHRALDH1A1MAPT
SCHEMBL13855006 0.79 ALDH1A1 (0.45) EGFRAPPTSHRALDH1A1MAPT
SCHEMBL24934242 0.79 ALDH1A1 (0.34) EGFRAPPTSHRALDH1A1MAPT
SCHEMBL21021658 0.78 ALDH1A1 (0.43) EGFRAPPTSHRALDH1A1
SCHEMBL13716023 0.76 APP (0.35) EGFRAPPALDH1A1MAPT
SCHEMBL23428954 0.76 EGFR (0.36) EGFRAPP
SCHEMBL20387736 0.76 ALDH1A1 (0.40) APPALDH1A1MAPT
SCHEMBL20824972 0.75 EGFR (0.35) EGFRAPPMAPT
SCHEMBL25938842 0.75 ALDH1A1 (0.32) EGFRAPPALDH1A1

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