SCHEMBL17901848

SCHEMBL17901848

Cc1cc(C(F)(F)F)cnc1-c1nc2cc(Br)ncc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ PKM P14618 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL20628463 0.84 POLB (0.35) AGBL2ALDH1A1NPC1RAB9AMEN1
SCHEMBL17896023 0.84 POLB (0.37) AGBL2ALDH1A1NPC1RAB9AMEN1
SCHEMBL16389599 0.83 POLB (0.34) AGBL2POLB
SCHEMBL20628411 0.82 POLB (0.32) ALDH1A1NPC1RAB9AMEN1STAT3
SCHEMBL17901855 0.81 POLB (0.33) AGBL2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL20634569 0.77 FGFR1 (0.31) —
SCHEMBL18624694 0.76 RAB9A (0.46) ALDH1A1NPC1RAB9AMEN1STAT3
SCHEMBL17008988 0.75 RAB9A (0.43) ALDH1A1NPC1RAB9AMEN1STAT3
SCHEMBL18624690 0.74 SMN1; SMN2 (0.34) AGBL2ALDH1A1NPC1RAB9AMEN1
SCHEMBL17008990 0.73 SMN1; SMN2 (0.33) AGBL2ALDH1A1NPC1RAB9AMEN1

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-2016107831-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2016-07-07 — — WO disclosed
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