SCHEMBL9835705

SCHEMBL9835705

CCOC(=O)c1cn(C)c2cc(Cl)sc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.54
BAZ2A Q9UIF9 1/20 0.54
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
KAT2B Q92831 1/20 0.38
STAT3 P40763 1/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL9837365 0.87 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1KDM4ECYP1A2
SCHEMBL11281418 0.86 LMNA (0.54) BAZ2BBAZ2AALDH1A1KDM4ECYP1A2
SCHEMBL6481160 0.84 BAZ2B (0.47) BAZ2BBAZ2AALDH1A1KDM4ECYP1A2
SCHEMBL6479967 0.84 BAZ2B (0.47) BAZ2BBAZ2AALDH1A1KDM4ECYP1A2
SCHEMBL9836660 0.80 ALDH1A1 (0.55) BAZ2BBAZ2AALDH1A1KDM4ECYP1A2
SCHEMBL6050604 0.76 BAZ2B (0.47) BAZ2BBAZ2AALDH1A1KDM4ECYP1A2
SCHEMBL6050613 0.74 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1KDM4ECYP1A2
SCHEMBL11402926 0.72 KMT2A (0.56) BAZ2BBAZ2AALDH1A1KDM4EPOLB
SCHEMBL29576801 0.72 KMT2A (0.56) BAZ2BBAZ2AALDH1A1KDM4EPOLB
SCHEMBL10084828 0.72 LMNA (0.58) BAZ2BBAZ2AALDH1A1KDM4ECYP1A2

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