SCHEMBL9836136

SCHEMBL9836136

Cn1cc(C(=O)O)c(=O)c2sc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.38
MAOB P27338 2/20 0.34
MEN1 O00255 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.31

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
SCHEMBL9834409 0.87 KDM4E (0.41) DAOKMT2AMAOBBAZ2BBAZ2A
SCHEMBL9835125 0.83 HSD17B10 (0.43) KMT2ALMNAMAOBMEN1BAZ2B
SCHEMBL11278972 0.81 KDM4E (0.48) DAOKMT2ALMNAMEN1KDM4E
SCHEMBL9837257 0.77 ALDH1A1 (0.46) KMT2ALMNAMEN1KDM4EPOLB
SCHEMBL11582014 0.76 DAO (0.42) DAOKMT2ALMNA
SCHEMBL7288734 0.72 KMT2A (0.42) KMT2ALMNAMEN1POLBTDP1
SCHEMBL6664480 0.72 LMNA (0.53) KMT2ALMNAMAOBMEN1KDM4E
SCHEMBL9836198 0.70 KDM4E (0.39) LMNAMAOBBAZ2BBAZ2AKDM4E
SCHEMBL3663507 0.70 KMT2A (0.55) KMT2ALMNAMAOBMEN1KDM4E
SCHEMBL392466 0.68 BAZ2B (0.61) KMT2ALMNAMEN1BAZ2BBAZ2A

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
EP-0269295-B1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1991-06-26 EP disclosed
US-4877793-A CARDIOVASCULAR DISORDERS THE BOOTS COMPANY, PLC (GB) 1989-10-31 US disclosed
EP-0269295-A1 Therapeutic agents The Boots Company PLC (GB) 1988-06-01 EP disclosed