SCHEMBL20877352

SCHEMBL20877352

Cn1ccc(=O)c2c(Br)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
KDM6A O15550 1/20 0.36
KDM4A O75164 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM5C P41229 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
DOHH Q9BU89 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDR P35968 4/20 0.34
NQO2 P16083 1/20 0.34
FEN1 P39748 1/20 0.33

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
SCHEMBL20886862 0.79 KDM4E (0.41) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL12586402 0.75 CA2 (0.35) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL23356590 0.73 KDM4E (0.38) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL30609643 0.72 KDM4E (0.48) KDM4EALDH1A1MAPTRXFP1NQO2
SCHEMBL1138076 0.72 KDM4E (0.48) KDM4EALDH1A1MAPTRXFP1NQO2
SCHEMBL2070041 0.72 SLC2A1 (0.36) GRM2CNR2CNR1
SCHEMBL3577290 0.70 TAF1 (0.41) KDM4ECDK4CCND1CCNE2CCNE1
SCHEMBL23356601 0.70 CDK4 (0.42) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL2071263 0.70 SMN1; SMN2 (0.47) KDM4EALDH1A1GRM2
SCHEMBL28513044 0.69 BRPF1 (0.35) KDM4EKDM6AKDM4ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed