SCHEMBL6132938

SCHEMBL6132938

CC1CN(c2ccc(-c3nnc(-c4ccc(C(=O)O)cc4)s3)cc2)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 13/20 0.48
CSNK2A1 P68400 13/20 0.48
CSNK2B P67870 1/20 0.48
NR1H4 Q96RI1 1/20 0.45
PTPRF P10586 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.42
PPARA Q07869 1/20 0.41

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
SCHEMBL6132936 1.00 CSNK2A2 (0.48) CSNK2A2CSNK2A1CSNK2BNR1H4PTPRF
SCHEMBL6132709 0.87 ALDH1A1 (0.43) CSNK2A2CSNK2A1PTPRFPTPN2PTPN1
SCHEMBL6132711 0.87 ALDH1A1 (0.43) CSNK2A2CSNK2A1PTPRFPTPN2PTPN1
SCHEMBL607498 0.85 USP2 (0.58) USP2ALDH1A1RAB9AMAPT
SCHEMBL6132323 0.83 USP2 (0.57) USP2ALDH1A1MAPT
SCHEMBL6132668 0.83 USP2 (0.57) USP2ALDH1A1MAPT
SCHEMBL6132320 0.83 USP2 (0.57) USP2ALDH1A1MAPT
SCHEMBL6132666 0.83 USP2 (0.57) USP2ALDH1A1MAPT
SCHEMBL6132857 0.81 USP2 (0.62) USP2ALDH1A1RAB9AMAPT
SCHEMBL6132861 0.81 USP2 (0.62) USP2ALDH1A1RAB9AMAPT

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed