SCHEMBL24942507

SCHEMBL24942507

N=C1C(=O)c2ccc(C(=O)NCCOCCOCCCCCCCl)cc2C12c1ccc(N3CC(C(=O)N4CCOCC4)C3)cc1Oc1cc(N3CC(C(=O)N4CCOCC4)C3)ccc12

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ RET P07949 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ F10 P00742 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
SCHEMBL24942954 0.93 OPRM1 (0.34) MAPK14OPRM1
SCHEMBL30112752 0.91 NOTUM (0.32) NOTUMHTTMEN1ALDH1A1KMT2A
SCHEMBL29250145 0.91 NOTUM (0.32) NOTUMHTTMEN1ALDH1A1KMT2A
SCHEMBL24942948 0.91 OPRM1 (0.32) OPRM1HPGDF10
SCHEMBL24942499 0.89 OPRM1 (0.34) NOTUMOPRM1HPGD
SCHEMBL24942986 0.89 OPRM1 (0.32) OPRM1HPGD
SCHEMBL24943033 0.88 OPRM1 (0.32) HTTOPRM1HPGD
SCHEMBL18526237 0.88 OPRM1 (0.35) HTTMEN1ALDH1A1KMT2AOPRM1
SCHEMBL24942518 0.88 OPRM1 (0.32) OPRM1HPGD
SCHEMBL24942966 0.87 NT5E (0.39) NOTUMHTTALDH1A1OPRM1PRKDC

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-2023009503-A1 2-DIAZO-3-OXO-2,3-DIHYDROSPIRO[INDENE-1,9'-XANTHENE] DERIVATIVES AND SIMILAR COMPOUNDS AS PHOTOACTIVE FLUORESCENT COMPOUNDS FOR PROTEIN LABELING EIKON THERAPEUTICS INC. (US) 2023-02-02 — — WO disclosed
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