SCHEMBL29905537

SCHEMBL29905537

Nc1cc(C2CC3CCC(C2)N3C(=O)N2CCOCC2)nn1C(=O)c1cscn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ IDH1 O75874 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL21824349 0.86 POLB (0.36) POLBKMT2AHPGDALDH1A1BLM
SCHEMBL21824332 0.85 POLB (0.36) POLBHPGDALDH1A1BLMHSD17B10
SCHEMBL21824343 0.81 POLB (0.35) POLBHPGDALDH1A1BLMHSD17B10
SCHEMBL18039858 0.80 F2 (0.35) POLBKMT2AHPGDCHRM2CHRM3
SCHEMBL18039861 0.80 F2 (0.51) —
SCHEMBL21824368 0.78 PKM (0.31) POLBPKM
SCHEMBL20474024 0.76 KDM4E (0.32) POLBPKMRIPK1
SCHEMBL20474031 0.74 CCNA2 (0.35) POLBPKMRIPK1
SCHEMBL20474023 0.74 PKM (0.34) POLBPKMRIPK1
SCHEMBL21824376 0.70 ALDH1A1 (0.44) POLBKMT2AHPGDALDH1A1BLM

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
EP-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP claimed
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