SCHEMBL9796512

SCHEMBL9796512

Cn1cc(OS(C)(=O)=O)c(=O)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.45
GSK3B P49841 4/20 0.41
PRKCA P17252 1/20 0.41
MAPT P10636 1/20 0.39
MAPK8 P45983 3/20 0.38
MAPK9 P45984 3/20 0.38
MAPK10 P53779 2/20 0.38
CDK2 P24941 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9796274 0.89 NTRK1 (0.41) KMT2AKDM4EGSK3BMAPTMAPK8
SCHEMBL9796513 0.83 ALDH1A1 (0.48) KMT2AKDM4EGSK3BMAPTCDK2
SCHEMBL6050601 0.80 ALDH1A1 (0.45) KMT2AKDM4ECDK2MEN1ALDH1A1
SCHEMBL9796526 0.77 TP53 (0.48) KMT2ANPC1POLBRXFP1TP53
SCHEMBL9796630 0.77 TP53 (0.41) KMT2AKDM4EMAPTMEN1POLB
SCHEMBL9796325 0.76 TP53 (0.41) KMT2AKDM4EGSK3BPRKCAMEN1
SCHEMBL9796539 0.75 CREBBP (0.40) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL9796452 0.75 ATM (0.44) KMT2AKDM4EGSK3BPRKCAMAPK8
SCHEMBL9796185 0.74 KDM4E (0.33) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL9796276 0.74 ALDH1A1 (0.51) GSK3BPRKCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 US disclosed
EP-0330340-A1 Therapeutic agents The Boots Company PLC (GB) 1989-08-30 EP disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 WO disclosed