SCHEMBL7329803

SCHEMBL7329803

Cc1sc2ncc(C(O)C#Cc3ccccc3)n2c1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
DCTPP1 Q9H773 1/20 0.44
GRM5 P41594 9/20 0.35
HSD17B2 P37059 1/20 0.33
TDO2 P48775 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32
PTGS2 P35354 1/20 0.32
ACACB O00763 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
SCHEMBL7332307 0.74 DCTPP1 (0.49) IDO1DCTPP1TDO2
SCHEMBL7339811 0.73 DCTPP1 (0.43) DCTPP1GRM5PTGS2
SCHEMBL7339805 0.73 DCTPP1 (0.43) DCTPP1GRM5PTGS2
SCHEMBL7338080 0.72 DCTPP1 (0.42) DCTPP1
SCHEMBL7051965 0.68 IDO1 (0.51) IDO1GRM5HSD17B2
SCHEMBL7338245 0.66 DCTPP1 (0.49) IDO1DCTPP1TDO2PKMPTGS2
SCHEMBL20743882 0.66 IDO1 (1.00) IDO1TDO2
SCHEMBL1398873 0.64 DCTPP1 (0.44) IDO1DCTPP1PKMPTGS2
Methane SCHEMBL7899065 0.64 DCTPP1 (0.40) DCTPP1
SCHEMBL2686082 0.62 IDO1 (0.44) IDO1GRM5HSD17B2PKM

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
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US claimed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP claimed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO claimed
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP disclosed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO disclosed