SCHEMBL20076427

SCHEMBL20076427

C=C(Nc1ccc(Cl)c(N)c1)C1C(c2cc(C)cc(C)c2)C1(C)Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.31
BLM P54132 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
SCHEMBL21021594 0.83 POLB (0.37) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL21021313 0.82 MEN1 (0.30) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL21020672 0.81 MEN1 (0.33) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL21021121 0.81 MEN1 (0.48) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20076742 0.80 MEN1 (0.31) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL20076667 0.79 GSTO1 (0.31) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL20076548 0.79 POLB (0.34) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL21021465 0.78 MEN1 (0.34) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL21020662 0.78 MEN1 (0.31) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20076458 0.78 MEN1 (0.30) ALDH1A1MEN1KMT2ARECQL

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed