SCHEMBL9837457

SCHEMBL9837457

CCOc1csc2c(=O)c(C(N)=O)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
PKM P14618 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK8 P45983 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
PARP10 Q53GL7 1/20 0.31
CYP3A4 P08684 1/20 0.31
IKBKB O14920 1/20 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
SCHEMBL6317490 0.71 BAZ2B (0.47) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL6318668 0.68 BAZ2B (0.43) TSHRMAPK1HPGDMEN1KMT2A
SCHEMBL6050600 0.65 KDM4E (0.43) MAPK1MEN1KMT2AALDH1A1PKM
SCHEMBL11461755 0.65 TSHR (0.47) TSHRMAPK1HPGDMEN1KMT2A
Water SCHEMBL9837052 0.64 KDM4E (0.42) MAPK1MEN1KMT2AALDH1A1PKM
SCHEMBL28716765 0.63 TSHR (0.62) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL9836198 0.61 KDM4E (0.39) ALDH1A1LMNAKDM4EBAZ2BBAZ2A
SCHEMBL9834409 0.60 KDM4E (0.41) MAPK1KMT2APKMKDM4EBAZ2B
Ethenzamide SCHEMBL25624 0.60 MAPT (0.68) MAPK1MEN1KMT2AGLALMNA
Ethenzamide SCHEMBL27612766 0.60 MAPT (0.68) MAPK1MEN1KMT2AGLALMNA

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
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