SCHEMBL29958713

SCHEMBL29958713

COC(=O)Cc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.49
USP2 O75604 1/20 0.48
IDH1 O75874 1/20 0.47
MASP2 O00187 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
F11 P03951 4/20 0.45
KLKB1 P03952 2/20 0.45
CYP3A4 P08684 1/20 0.45
KLK1 P06870 1/20 0.45

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
SCHEMBL27033507 1.00 F2 (0.49) F2USP2IDH1MASP2MAPT
SCHEMBL29174289 0.94 F2 (0.46) F2USP2IDH1MASP2MAPT
SCHEMBL1197181 0.88 F2 (0.48) F2USP2IDH1MASP2MAPT
SCHEMBL30711653 0.84 F11 (0.48) F2MASP2F11KLKB1CYP3A4
SCHEMBL27033841 0.84 F11 (0.48) F2MASP2F11KLKB1CYP3A4
SCHEMBL27033847 0.83 F2 (0.47) F2MASP2F11KLKB1CYP3A4
SCHEMBL30711643 0.83 F2 (0.47) F2MASP2F11KLKB1CYP3A4
Lithium Ion SCHEMBL29174316 0.82 F11 (0.46) F2MASP2F11KLKB1CYP3A4
Lithium Ion SCHEMBL30711671 0.82 F11 (0.46) F2MASP2F11KLKB1CYP3A4
SCHEMBL17232504 0.81 F2 (0.49) F2IDH1MASP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed