SCHEMBL5030912

SCHEMBL5030912

COc1cccc(Sc2ccccc2C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 3/20 0.55
▸ NPC1 O15118 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.51
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HTR1A P08908 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.47
▸ EDNRB P24530 1/20 0.47
▸ DHFR P00374 1/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45

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
SCHEMBL30407941 0.88 EDNRA (0.52) EDNRANPC1KMT2AMEN1HSP90AA1
SCHEMBL7969385 0.88 NPC1 (0.51) EDNRANPC1RAB9ASMN1; SMN2POLB
SCHEMBL10358495 0.87 KMT2A (0.52) EDNRANPC1KMT2AMEN1HSP90AA1
SCHEMBL21248520 0.87 SIRT1 (0.62) EDNRANPC1KMT2AMEN1HSP90AA1
SCHEMBL5833804 0.85 KMT2A (0.50) EDNRANPC1KMT2AMEN1HSP90AA1
SCHEMBL315581 0.83 NPC1 (0.59) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL29269807 0.82 EDNRA (0.47) EDNRANPC1KMT2AMEN1HSP90AA1
SCHEMBL30401457 0.82 EDNRA (0.47) EDNRANPC1KMT2AMEN1HSP90AA1
SCHEMBL4440732 0.82 KDM4E (0.57) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL233464 0.82 RHEB (0.57) POLBKDM4ESIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511064-B2 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2009-03-31 — — US disclosed
US-7511064-B2 Derivatives of 4-(thio- or selenoxanthene-9-ylidene)-piperidine or acridine and its use as a selective 5-HT2B receptor antagonist BIOFRONTERA BIOSCIENCE GMBH (DE) 2009-03-31 — — US disclosed
US-7459263-B2 Optical recording media with triplet-sensitized isomerization EASTMAN KODAK COMPANY (US) 2008-12-02 — — US disclosed
US-20050136357-A1 Optical recording media with triplet-sensitzed isomerization FPC INC. 2005-06-23 — — US disclosed
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 — — EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 — — US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 — — EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 — — WO disclosed
EP-0396827-A1 2-Phenylthiobenzylamine dervivatives and acid addition salts thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1990-11-14 — — EP disclosed
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