SCHEMBL9138809

SCHEMBL9138809

c1c[nH]c(C2CCC(c3ccc[nH]3)N2)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL9372095 0.75 — —
SCHEMBL661112 0.74 CHRM5 (0.46) MEN1KMT2A
SCHEMBL9825763 0.71 DAO (0.38) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL9022083 0.71 — —
SCHEMBL2361010 0.70 DAO (0.39) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL22939898 0.70 DAO (0.39) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL29187228 0.70 DAO (0.39) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL9420563 0.68 — —
SCHEMBL5276230 0.68 SLC18A3 (0.48) MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL28854241 0.68 DAO (0.38) KDM4EMEN1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430073-A Polypyrroles, polyfurans, polythiophenes DSM, N.V. (NL) 1995-07-04 — — US disclosed
EP-0603381-A1 PROCESS FOR THE PREPARATION OF A POLYMER COMPOSITION DSM N.V. (NL) 1994-06-29 — — EP disclosed
WO-1994002532-A1 PROCESS FOR THE PREPARATION OF A POLYMER COMPOSITION DSM N.V. (NL) 1994-02-03 — — WO disclosed
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