SCHEMBL9322271

SCHEMBL9322271

O=C1C=C(c2cccs2)C(=O)N1C1=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
LTK P29376 1/20 0.32
CDK5 Q00535 1/20 0.32
MST1R Q04912 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL11643039 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1USP2
SCHEMBL9324699 0.78 MAPT (0.44) PTAFRALDH1A1CA12CA9HPGD
SCHEMBL16369824 0.76 CA12 (0.37) ALDH1A1KMT2AKDM4EMEN1USP2
SCHEMBL28738042 0.72 PTAFR (0.41) PTAFRALDH1A1KMT2AKDM4EMEN1
SCHEMBL9342908 0.71 MEN1 (0.45) ALDH1A1KMT2AMEN1CA12CA9
SCHEMBL735013 0.68 TLR9 (0.46) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL2975487 0.66 RAB9A (0.42) PTAFRALDH1A1KMT2AKDM4EMEN1
SCHEMBL30821340 0.65 BACE1 (0.44) ALDH1A1KMT2AKDM4EMEN1USP2
SCHEMBL142991 0.63 PTPN1 (0.55) ALDH1A1KMT2AKDM4EADORA2AADORA1
SCHEMBL4783918 0.63 BACE1 (0.55) ALDH1A1KMT2AMEN1USP2ADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242033-B1 Compositions comprising arylcyclobutene and polymeric compositions prepared therefrom DOW CHEMICAL CO (US) 1994-01-26 EP disclosed
US-4965329-A HEAT RESISTANT POLYMERS THE DOW CHEMICAL COMPANY (US) 1990-10-23 US disclosed
US-4826997-A ADDITION POLYMERS THE DOW CHEMICAL COMPANY (US) 1989-05-02 US disclosed
WO-1987005303-A1 COMPOSITIONS COMPRISING ARYLCYCLOBUTENE AND POLYMERIC COMPOSITIONS PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1987-09-11 WO disclosed