SCHEMBL20628463

SCHEMBL20628463

CCNc1cc(C(F)(F)F)cnc1-c1nc2cc(Br)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ PTPN5 P54829 1/20 0.32
▸ MET P08581 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ AGBL2 Q5U5Z8 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ STAT1 P42224 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL17901848 0.84 AGBL2 (0.35) POLBSMN1; SMN2AGBL2MEN1NPC1
SCHEMBL17896023 0.81 POLB (0.37) POLBAGBL2MEN1NPC1ALDH1A1
SCHEMBL16389599 0.80 POLB (0.34) POLBAGBL2
SCHEMBL20628411 0.79 POLB (0.32) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL25658524 0.71 — —
SCHEMBL18624694 0.69 RAB9A (0.46) POLBHTTSMN1; SMN2MEN1NPC1
SCHEMBL17901875 0.69 POLB (0.39) POLBAGBL2ALDH1A1KMT2A
SCHEMBL18624700 0.69 POLB (0.35) POLBSMN1; SMN2AGBL2NPC1RAB9A
SCHEMBL19755915 0.69 POLB (0.37) POLBAGBL2ALDH1A1
SCHEMBL20847439 0.69 POLB (0.40) POLB

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-3194394-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-09 — — EP disclosed
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