SCHEMBL29136998

SCHEMBL29136998

COC(=O)C=Cc1ccnc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.58
APP P05067 1/20 0.58
PTPN1 P18031 1/20 0.55
FDPS P14324 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TYR P14679 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
JAK2 O60674 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL24738883 1.00 TTR (0.58) TTRAPPPTPN1FDPSCA12
SCHEMBL29879436 1.00 TTR (0.58) TTRAPPPTPN1FDPSCA12
SCHEMBL15911970 0.84 TTR (0.57) TTRAPPPTPN1FDPSCA12
SCHEMBL28287607 0.83 TTR (0.55) TTRAPPPTPN1FDPSCA12
SCHEMBL25075381 0.82 IAPP (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL26820204 0.82 IAPP (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL18639965 0.81 TTR (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL20738228 0.81 TTR (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL18639968 0.81 TTR (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL9106504 0.81 TTR (0.54) TTRAPPPTPN1FDPSCA12

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
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed