SCHEMBL22901343

SCHEMBL22901343

CC[S+]([O-])c1cnc(Cl)nc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ JUN P05412 3/20 0.33
▸ NFKB1 P19838 3/20 0.33
▸ NFKB2 Q00653 3/20 0.33
▸ RELA Q04206 3/20 0.33
▸ CRHR1 P34998 3/20 0.32
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18866473 0.87 POLB (0.41) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL9914979 0.84 POLB (0.42) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL23934201 0.84 POLB (0.42) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL23507240 0.83 POLB (0.41) POLB
SCHEMBL21589884 0.83 POLB (0.41) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL15868304 0.82 POLB (0.42) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL18864244 0.82 POLB (0.36) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL29431642 0.82 POLB (0.42) POLBNPC1RAB9AALDH1A1CASP3
SCHEMBL14677434 0.82 POLB (0.42) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL14684622 0.82 POLB (0.42) POLBNPC1RAB9AALDH1A1CASP3

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-3766881-A1 HETEROARYL PYRIMIDINE COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2021-01-20 — — EP disclosed
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