SCHEMBL28430342

SCHEMBL28430342

CNc1cnc(C2=CCCCC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ATR Q13535 1/20 0.37
PSMB5 P28074 4/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
PTPN11 Q06124 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
HASPIN Q8TF76 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
MAP3K8 P41279 1/20 0.30
PDGFRB P09619 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
SCHEMBL17199629 0.74 TDP1 (0.50) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL19264965 0.72 TDP1 (0.45) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20400430 0.71 NPC1 (0.45) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20400910 0.70 TDP1 (0.46) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL20400887 0.70 TDP1 (0.46) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL25166327 0.70 TDP1 (0.40) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL30469661 0.69 TDP1 (0.53) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL24366369 0.69 TDP1 (0.53) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL16626827 0.68 HCAR3 (0.44) RAB9ACYP3A4PDGFRBPDGFRA
SCHEMBL20400543 0.66 MAPK1 (0.41) TDP1NPC1RAB9ACASP3SENP8

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
CN-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 CN disclosed