SCHEMBL23129061

SCHEMBL23129061

O=C1CCC(N2C(=O)c3ccc(N4CCN(Oc5ccc(C(=O)O)cc5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.65
▸ HPGDS O60760 2/20 0.54
▸ DDB1 Q16531 9/20 0.51
▸ AR P10275 5/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ IKZF3 Q9UKT9 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ BTK Q06187 1/20 0.47

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
SCHEMBL29098484 0.87 CRBN (0.65) CRBNHPGDSDDB1ARALDH1A1
SCHEMBL25216081 0.86 CRBN (0.69) CRBNHPGDSDDB1ARALDH1A1
SCHEMBL22661301 0.84 CRBN (0.58) CRBNHPGDSDDB1AR
SCHEMBL29098531 0.83 CRBN (0.64) CRBNHPGDSDDB1ARALDH1A1
SCHEMBL20046280 0.82 CRBN (0.63) CRBNHPGDSDDB1ARBTK
SCHEMBL29878029 0.82 CRBN (0.63) CRBNHPGDSDDB1ARBTK
SCHEMBL30441421 0.82 CRBN (0.65) CRBNHPGDSDDB1ARALDH1A1
SCHEMBL25201176 0.82 CRBN (0.65) CRBNHPGDSDDB1ARALDH1A1
SCHEMBL22661369 0.82 CRBN (0.65) CRBNHPGDSDDB1ALDH1A1CHRM2
SCHEMBL30312927 0.82 CRBN (0.65) CRBNHPGDSDDB1ALDH1A1CHRM2

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
WO-2021061204-A1 NOVEL SUBSTITUTED QUINOLINE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2021-04-01 — — WO disclosed
WO-2021061644-A1 NOVEL SUBSTITUTED QUINOLINE-8-CARBONITRILE DERIVATIVES WITH ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2021-04-01 — — WO disclosed
EP-3795570-A1 SUBSTITUTED QUINOLINE-8-CARBONITRILE DERIVATIVES HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF Accutar Biotechnology Inc. (US) 2021-03-24 — — EP disclosed
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