SCHEMBL29865616

SCHEMBL29865616

O=C(O)/C=C/c1cc(Cl)ccc1-n1cc(Cl)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
NOTUM Q6P988 2/20 0.40
KCNMA1 Q12791 1/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
TBXA2R P21731 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGIR P43119 1/20 0.40
PTGDR Q13258 1/20 0.40
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PKM P14618 1/20 0.39
MDM2 Q00987 1/20 0.38
CA2 P00918 3/20 0.38
CA5A P35218 3/20 0.38
CA9 Q16790 3/20 0.38

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
SCHEMBL16974763 0.81 NOTUM (0.39) NOTUMKCNMA1F11KLKB1
SCHEMBL29804049 0.80 NOTUM (0.42) NOTUMKCNMA1F11KLKB1
SCHEMBL16974775 0.80 NOTUM (0.42) NOTUMKCNMA1F11KLKB1
SCHEMBL1196285 0.80 GABRA2 (0.45) KCNMA1CA2CA9LMNA
SCHEMBL1196287 0.80 GABRA2 (0.45) KCNMA1CA2CA9LMNA
SCHEMBL617053 0.79 NOTUM (0.44) NOTUMITGB2ICAM1ITGALTBXA2R
SCHEMBL30194022 0.79 F11 (0.53) F11KLKB1
SCHEMBL478536 0.79 F11 (0.53) F11KLKB1
SCHEMBL478538 0.79 F11 (0.53) F11KLKB1
SCHEMBL617054 0.79 NOTUM (0.44) NOTUMITGB2ICAM1ITGALTBXA2R

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
CN-115066417-B Factor XIa inhibitors 上海京新生物医药有限公司 2025-05-02 CN disclosed
CN-115066417-A Factor XIa inhibitors 上海京新生物医药有限公司 2022-09-16 CN disclosed