SCHEMBL5269040

SCHEMBL5269040

Cc1c(C=O)oc2cc(-c3ccc(Cl)cc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ACHE P22303 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
HSD17B3 P37058 1/20 0.37
AKR1B1 P15121 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CSNK2A2 P19784 1/20 0.35

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
SCHEMBL18002707 0.85 TNKS2 (0.43) MAOBACHECA12CA9HSD17B3
SCHEMBL719067 0.78 MCL1 (0.55) MCL1MAOBAKR1B1KDM4EALDH1A1
SCHEMBL14809632 0.77 HPGD (0.44) MAOBACHEHSD17B3KDM4EALDH1A1
SCHEMBL18003048 0.75 PGR (0.46) MAOBCA12CA9KDM4EALDH1A1
SCHEMBL3500950 0.75 MCL1 (0.60) MCL1CA12CA9HSD17B3KDM4E
SCHEMBL3498475 0.75 MCL1 (0.78) MCL1CA12CA9KDM4EALDH1A1
SCHEMBL719541 0.74 MAOB (0.44) MAOBACHEHSD17B3PTPN1
SCHEMBL3501203 0.74 MCL1 (0.58) MCL1MAOAMAOBACHECA12
SCHEMBL3501204 0.74 MCL1 (0.58) MCL1CA1CA2CA12CA9
SCHEMBL11760949 0.71 PTPN1 (0.49) MCL1KDM4EALDH1A1GAAHPGD

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-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed