SCHEMBL21021635

SCHEMBL21021635

C=C(Nc1ccc(N)cc1C)c1cc(NC(=C)C2C(c3cc(C)cc(Cl)c3)C2(C)C)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21021054 0.88
SCHEMBL21021581 0.82 FADS1 (0.31) SLC9A1NPC1RAB9ASMN1; SMN2
SCHEMBL21021313 0.82 MEN1 (0.30)
SCHEMBL21021606 0.81 ALDH1A1 (0.31)
SCHEMBL21020721 0.81 SLC9A1 (0.36) SLC9A1NPC1RAB9ASMN1; SMN2
SCHEMBL20076436 0.81 SLC9A1 (0.36) SLC9A1NPC1
SCHEMBL21020806 0.80 TP53 (0.30)
SCHEMBL20076601 0.79 LMNA (0.34) SLC9A1NPC1RAB9ASMN1; SMN2
SCHEMBL21019976 0.78 HTT (0.37)
SCHEMBL21022022 0.78 MEN1 (0.32)

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