SCHEMBL10741182

SCHEMBL10741182

Cc1cc(F)ccc1-n1c(CF)nc2ccc(N)cc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.76
▸ HPD P32754 2/20 0.48
▸ TDO2 P48775 8/20 0.46
▸ IDO1 P14902 7/20 0.46
▸ IDO2 Q6ZQW0 6/20 0.46
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10742868 0.91 PDE4D (0.76) PDE4DHPDTDO2IDO1IDO2
SCHEMBL10739746 0.90 PDE4D (0.77) PDE4DHPDTDO2IDO2POLB
SCHEMBL10709171 0.88 PDE4D (0.74) PDE4DHPDKDM4EALDH1A1HPGD
SCHEMBL10711517 0.88 PDE4D (0.74) PDE4DHPDTDO2IDO1IDO2
Afloqualone SCHEMBL29540781 0.86 PDE4D (1.00) PDE4DHPDKDM4EALDH1A1HPGD
Afloqualone SCHEMBL400184 0.86 PDE4D (1.00) PDE4DHPDKDM4EALDH1A1HPGD
SCHEMBL10741892 0.86 PDE4D (0.71) PDE4DPOLBKDM4EALDH1A1HPGD
SCHEMBL10736404 0.83 POLB (0.53) PDE4DHPDPOLBKDM4EALDH1A1
SCHEMBL10735755 0.82 PDE4D (0.83) PDE4DKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10737618 0.81 PDE4D (0.74) PDE4DHPDTDO2IDO1IDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4714702-A CENTRAL MUSCLE RELAXANTS TANABE SEIYAKU CO., LTD. (JP) 1987-12-22 — — US disclosed
EP-0116268-A1 Novel quinazolinone derivative, a process for preparing the same and a pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1984-08-22 — — EP disclosed
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