SCHEMBL5909166

SCHEMBL5909166

CCOc1ccc2c(c1)C=CCN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
TTK P33981 1/20 0.38
MAPT P10636 3/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL7085314 0.70 ALDH1A1 (0.55) NQO1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL21860163 0.69 NQO1 (0.42) NQO1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL30695309 0.68 HTR5A (0.33) KMT2ACYP1A2CYP2C19MAPTPARP10
SCHEMBL29373570 0.68 ALDH1A1 (0.40) NQO1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL6984818 0.68 ALDH1A1 (0.40) NQO1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL18885163 0.68 TNKS2 (0.34) TNKS2
SCHEMBL29545522 0.68 TNKS2 (0.33) TNKS2BRD4CCL2
Hydrochloric Acid SCHEMBL7654967 0.67 ALDH1A1 (0.39) NQO1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL19520635 0.67 HRH3 (0.56) NQO1ALDH1A1KMT2AHPGDHSD17B10
SCHEMBL8470071 0.66 NQO1 (0.42) NQO1ALDH1A1KMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486298-A POLYDIMETHYLSILOXANE OR POLYETHER COPOLYMERS WITH ANTOXIDANTS DOW CORNING TORAY SILICONE COMPANY, LTD. (JP) 1996-01-23 US claimed
CN-111117026-A Rubber composition based on halogenated butyl rubber, vulcanized rubber, and preparation methods and applications thereof 中国石油化工股份有限公司 2020-05-08 CN disclosed
US-20060135724-A1 Spandex having low heat-set temperature and materials for their production BAYER MATERIALSCIENCE LLC 2006-06-22 US disclosed
EP-1671992-A1 Spandex having low heat-set temperature and materials for their production Bayer MaterialScience LLC (US) 2006-06-21 EP disclosed
EP-1409564-A4 IMPROVED SPANDEX COMPOSITIONS RADICISPANDEX CORP (US) 2006-05-03 EP disclosed
US-20050027094-A1 Spandex compositions RADICISPANDEX CORPORATION (US) 2005-02-03 US disclosed
US-6780958-B2 MADE FROM ONE OR MORE POLYOLS THAT HAVE AN AROMATIC FUNCTIONALITY, ESPECIALLY ALKOXYLATED BISPHENOLS; IMPROVED RESISTANCE TO HIGH TEMPERATURE DYEING WITH MINIMAL LOSS OF PHYSICAL PROPERTIES, SUCH AS ELASTIC RECOVERY. RADICISPANDEX CORPORATION 2004-08-24 US disclosed
EP-1409564-A1 IMPROVED SPANDEX COMPOSITIONS RADICISPANDEX CORPORATION (US) 2004-04-21 EP disclosed
US-20030088049-A1 Spandex compositions RADICISPANDEX CORPORATION 2003-05-08 US disclosed
WO-2003010216-A1 IMPROVED SPANDEX COMPOSITIONS RADICISPANDEX CORPORATION (US) 2003-02-06 WO disclosed
US-5486298-A POLYDIMETHYLSILOXANE OR POLYETHER COPOLYMERS WITH ANTOXIDANTS DOW CORNING TORAY SILICONE COMPANY, LTD. (JP) 1996-01-23 US disclosed
EP-0671500-A2 Fiber treatment compositions Dow Corning Toray Silicone Company, Limited (JP) 1995-09-13 EP disclosed