SCHEMBL30280800

SCHEMBL30280800

COC(=O)c1cc(I)c(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.46
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40

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
SCHEMBL1920431 1.00 CFTR (0.46) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL25455691 0.88 CFTR (0.46) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL3187202 0.85 KDM4E (0.48) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL1764082 0.85 CA12 (0.46) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL20802859 0.85 CA12 (0.50) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL17239556 0.83 CFTR (0.43) CFTRALDH1A1MAPTHPGDGAA
SCHEMBL20129708 0.83 SOS1 (0.44) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL12488367 0.83 CFTR (0.43) CFTRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL1918973 0.83 GAA (0.50) CFTRKDM4EALDH1A1MAPTHPGD
SCHEMBL15543856 0.83 CFTR (0.46) CFTRPDGFRBFGFR1PDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116802181-A Triazolopyridine compounds as kinase inhibitors 百时美施贵宝公司 2023-09-22 CN disclosed
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed