SCHEMBL22424705

SCHEMBL22424705

O=C(c1ccc(Cl)c(Cl)c1)N1CCc2c(nc(NC(CO)CO)[nH]c2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 3/20 0.45
▸ MAPK1 P28482 6/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CLPP Q16740 2/20 0.40
▸ PKM P14618 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ PRLHR P49683 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL22424334 0.89 HPGD (0.46) MTHFD2MAPK1HPGDCLPPPKM
SCHEMBL22424053 0.82 MTHFD2 (0.52) MTHFD2HPGDPKM
SCHEMBL22423998 0.82 CLPP (0.60) MTHFD2HPGDCLPPPKM
SCHEMBL22424504 0.81 PRLHR (0.41) MTHFD2MAPK1CLPPPRLHR
SCHEMBL24275996 0.79 PRLHR (0.43) MTHFD2PRLHR
SCHEMBL22424333 0.78 CLPP (0.54) HPGDCLPPPRLHR
SCHEMBL22424063 0.78 MTHFD2 (0.50) MTHFD2HPGDPKM
SCHEMBL24276008 0.72 P2RX7 (0.39) MAPK1PRLHR
SCHEMBL22423967 0.70 P2RX7 (0.41) HPGD
SCHEMBL22424050 0.70 HPGD (0.48) MTHFD2HPGDPKM

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
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO disclosed
Send feedback