SCHEMBL8499602

SCHEMBL8499602

COc1cc(C(C)(C)C)c(OC)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
HTR2A P28223 9/20 0.50
HTR2C P28335 3/20 0.44
TAAR1 Q96RJ0 3/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13169383 0.91 LMNA (0.53) LMNATP53CYP3A4HPGDALOX15
SCHEMBL398164 0.86 CYP3A4 (0.74) LMNATP53CYP3A4HPGDALOX15
SCHEMBL14200088 0.84 CYP3A4 (0.50) LMNATP53CYP3A4HPGDALOX15
SCHEMBL3256565 0.83 HTR2A (0.46) LMNATP53CYP3A4HPGDALOX15
SCHEMBL17749691 0.83 LMNA (0.46) LMNATP53CYP3A4HPGDALOX15
SCHEMBL30073419 0.83 LMNA (0.46) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12781654 0.81 CYP3A4 (0.68) LMNATP53CYP3A4HPGDALOX15
SCHEMBL13939800 0.81 ALOX15 (0.68) LMNATP53CYP3A4HPGDALOX15
SCHEMBL23326154 0.81 HTR2A (0.51) HTR2AHTR2CTAAR1HTR2BPOLB
SCHEMBL29775360 0.81 HTR2A (0.51) HTR2AHTR2CTAAR1HTR2BPOLB

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-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
EP-0584222-A4 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE POULENC RORER INT (US) 1994-07-06 EP disclosed
EP-0584222-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE. RHONE POULENC RORER INT (US) 1994-03-02 EP disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed