SCHEMBL25997992

SCHEMBL25997992

Cc1ccc(/C=C2\SC(=S)N(C(C)C(=O)O)C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
POLB P06746 2/20 0.67
PLA2G1B P04054 1/20 0.67
ATG4B Q9Y4P1 1/20 0.67
BCL2 P10415 7/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
MCL1 Q07820 3/20 0.63
BCL2L1 Q07817 1/20 0.63
BAK1 Q16611 1/20 0.63
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
BCL2L2 Q92843 3/20 0.60
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
DUSP22 Q9NRW4 1/20 0.53
MME P08473 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL13812532 0.89 BCL2 (0.80) MAPTPOLBPLA2G1BATG4BBCL2
SCHEMBL19736048 0.89 PTPN1 (0.64) MAPTPOLBPLA2G1BATG4BBCL2
SCHEMBL29408635 0.89 PTPN1 (0.64) MAPTPOLBPLA2G1BATG4BBCL2
SCHEMBL19736247 0.86 MAPT (0.69) MAPTBCL2MEN1KMT2AMCL1
SCHEMBL29408609 0.86 MAPT (0.69) MAPTBCL2MEN1KMT2AMCL1
SCHEMBL6887088 0.83 MAPT (0.74) MAPTPOLBPLA2G1BATG4BBCL2
SCHEMBL6887091 0.83 MAPT (0.74) MAPTPOLBPLA2G1BATG4BBCL2
SCHEMBL15709085 0.81 MEN1 (0.60) MAPTPOLBPLA2G1BATG4BBCL2
SCHEMBL15709086 0.81 MEN1 (0.60) MAPTPOLBPLA2G1BATG4BBCL2
SCHEMBL6884827 0.80 PTPN1 (0.67) MAPTPOLBPLA2G1BATG4BBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468555-B1 COMPOSITIONS FOR USE IN TREATING BACTERIAL INFECTIONS VERSITECH LTD (HK) 2023-08-09 EP disclosed