SCHEMBL4629889

SCHEMBL4629889

Nc1c([O])ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 5/20 0.50
TSHR P16473 3/20 0.50
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 3/20 0.46
CYP3A4 P08684 1/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 2/20 0.46
NCEH1 Q6PIU2 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
PAX8 Q06710 1/20 0.43
CYP1B1 Q16678 2/20 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
SCHEMBL6062322 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL64806 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL29705759 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL714975 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL31390038 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
1,2-Naphthoquinone SCHEMBL2146624 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Formaldehyde SCHEMBL28941694 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Naphthalene SCHEMBL28349112 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL1286518 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL430346 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106687865-B TFT substrate, organic EL display device, and method for manufacturing liquid crystal display device 富士胶片株式会社 2020-01-03 CN disclosed
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 CN disclosed
CN-101258147-B 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD 2012-03-21 CN disclosed
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
US-4101464-A Process for preparing foamed solids using two or more azo compounds PENNWALT CORPORATION (US) 1978-07-18 US disclosed
US-4029615-A AZO COMPOUNDS PENNWALT CORPORATION (US) 1977-06-14 US disclosed
US-3993609-A ACID SENSITIVE AZO PROMOTERS PENNWALT CORPORATION (US) 1976-11-23 US disclosed