SCHEMBL11307432

SCHEMBL11307432

Cc1cccc2c1C(=O)c1c(ccc(N)c1C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ TSHR P16473 5/20 0.50
▸ MAPK1 P28482 4/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ HBB P68871 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ MAOA P21397 3/20 0.49
▸ MAOB P27338 2/20 0.49
▸ ADORA2A P29274 2/20 0.47
▸ ELANE P08246 4/20 0.46
▸ CTSG P08311 1/20 0.46
▸ PTPRC P08575 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ TDP2 O95551 1/20 0.42

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
SCHEMBL11306660 0.95 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL9643579 0.85 MAOA (0.67) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL12258322 0.84 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL7539850 0.83 ADORA2A (0.68) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL29634210 0.78 CA1 (0.52) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL4161497 0.78 CA1 (0.52) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL4019686 0.78 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL1688847 0.78 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL5585492 0.77 ADORA2A (0.70) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1
SCHEMBL11404062 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1CYP3A4L3MBTL1

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
US-4304725-A Process for producing disperse dyes CIBA-GEIGY CORPORATION (US) 1981-12-08 — — US claimed
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