SCHEMBL8571099

SCHEMBL8571099

Nc1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccccc3)C3C=C/C(=C(\c4ccccc4)c4ccc([nH]4)/C(c4ccccc4)=C4/C=CC2N4)N3)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7705568 0.88 TOP1 (0.34) —
SCHEMBL8573474 0.83 MAPT (0.36) CYP3A4
SCHEMBL14076169 0.82 — —
SCHEMBL15123763 0.77 MAPT (0.34) TDP1
SCHEMBL23520394 0.65 ALDH1A1 (0.36) HSD17B10
SCHEMBL5517179 0.65 HSD17B10 (0.64) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL17366434 0.63 — —
SCHEMBL20401759 0.57 ALDH1A1 (0.56) CYP3A4TAAR1HSD17B10TDP1
Biphenyl-4-Amine SCHEMBL20296849 0.56 CYP3A4 (1.00) CYP3A4TAAR1HSD17B10TDP1
SCHEMBL21392391 0.56 CYP3A4 (1.00) CYP3A4TAAR1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5853713-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1998-12-29 — — US disclosed
US-5618528-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1997-04-08 — — US disclosed
EP-0748226-A1 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1996-12-18 — — EP disclosed
WO-1995022991-A2 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1995-08-31 — — WO disclosed
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