SCHEMBL10990806

SCHEMBL10990806

CCn1cc(C(=O)O)c(=O)cc1-c1ccc(SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.44
MCL1 Q07820 1/20 0.43
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC4 O15439 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 5/20 0.38
HAO1 Q9UJM8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL10989639 0.85 CNR2 (0.47) CNR2MCL1LMNAMEN1ABCC4
SCHEMBL843172 0.85 CNR2 (0.57) CNR2LMNAMEN1ABCC4PKM
SCHEMBL10992081 0.84 CNR2 (0.50) CNR2LMNAMEN1ABCC4PKM
SCHEMBL10995051 0.82 CNR2 (0.44) CNR2LMNAMEN1ABCC4PKM
SCHEMBL10996340 0.82 KDM4E (0.55) CNR2LMNAMEN1KMT2AKDM4E
SCHEMBL10998292 0.81 CNR2 (0.46) CNR2LMNAMEN1ABCC4PKM
SCHEMBL10994347 0.80 CNR2 (0.45) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL11372017 0.80 CNR2 (0.45) CNR2LMNAMEN1ABCC4PKM
SCHEMBL10998047 0.79 CNR2 (0.45) CNR2LMNAKMT2AKDM4EALDH1A1
SCHEMBL11160417 0.78 ACMSD (0.49) CNR2LMNAMEN1ABCC4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003144-B1 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION, THEIR APPLICATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-05 EP claimed
EP-0003144-A2 4-Pyridone-3-carboxylic acid derivatives, pharmaceutical compositions containing them, processes for their preparation, their application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-25 EP claimed
US-4549022-A ANTIBACTERIAL AGENT; STIMULANT ON CENTRAL NERVOUS SYSTEM HOFFMANN-LA ROCHE INC. (US) 1985-10-22 US disclosed
US-4521535-A ANTIBACTERIAL AGENTS; STIMULANTS FOR CENTRAL NERVOUS SYSTEM HOFFMANN-LA ROCHE INC. (US) 1985-06-04 US disclosed
EP-0003144-B1 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION, THEIR APPLICATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-05 EP disclosed
EP-0003144-A2 4-Pyridone-3-carboxylic acid derivatives, pharmaceutical compositions containing them, processes for their preparation, their application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-25 EP disclosed