SCHEMBL29643798

SCHEMBL29643798

Cc1cc(C(=O)O)nc2c1ccn2CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SLC2A1 P11166 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32

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
SCHEMBL29643790 0.74 POLB (0.36) TLR7ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL26489875 0.71 SLC2A1 (0.38) TLR7KDM4ETDP1SLC2A1ALDH1A1
SCHEMBL27145046 0.70 RXFP1 (0.36) KDM4EMAPTRAB9ATDP1RXFP1
SCHEMBL26109913 0.69 KDM4E (0.40) TLR7KDM4ERAB9ALMNA
SCHEMBL30971062 0.69 LMNA (0.39) KDM4EMAPTRXFP1ALDH1A1SMN1; SMN2
SCHEMBL26105860 0.68 SLC2A1 (0.37) TLR7KDM4ESLC2A1
SCHEMBL31347169 0.68 SLC2A1 (0.37) TLR7KDM4ESLC2A1
SCHEMBL26105230 0.67 KDM4E (0.49) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL31347186 0.67 KDM4E (0.49) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23809379 0.67 NOTUM (0.38) KDM4EALDH1A1KMT2AMEN1

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-4255904-A2 NOVEL PAR-2 INHIBITORS Domain Therapeutics (FR) 2023-10-11 — — EP disclosed
WO-2022117882-A2 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2022-06-09 — — WO disclosed
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