SCHEMBL8501513

SCHEMBL8501513

COc1ccc(I)c(OC)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.32
TUBB P07437 3/20 0.32
TUBA3C P0DPH7 3/20 0.32
TUBA1B P68363 3/20 0.32
TUBA4A P68366 3/20 0.32
TUBB4B P68371 3/20 0.32
TUBB3 Q13509 3/20 0.32
TUBB2A Q13885 3/20 0.32
TUBB8 Q3ZCM7 3/20 0.32
TUBA3E Q6PEY2 3/20 0.32
TUBA1A Q71U36 3/20 0.32
TUBA1C Q9BQE3 3/20 0.32
TUBB6 Q9BUF5 3/20 0.32
TUBB2B Q9BVA1 3/20 0.32
TUBB1 Q9H4B7 3/20 0.32
ACHE P22303 2/20 0.31
TDO2 P48775 1/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31

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
SCHEMBL1421447 0.84
SCHEMBL20148901 0.83 MAPT (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9381570 0.78 HTR2A (0.35) ACHECYP19A1
SCHEMBL2955217 0.78 CA2 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28474445 0.78 LMNA (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3751809 0.76 CYP1A1 (0.40) ACHECA9CA12CA1CA2
SCHEMBL31571429 0.76 CYP1A1 (0.40) ACHECA9CA12CA1CA2
SCHEMBL14200084 0.76 ALDH1A1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3743213 0.75 NFE2L2 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28797640 0.74 MCL1 (0.45) TUBB1CA1CA2TDP1CYP1A2

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 8 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
EP-0584222-B1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE POULENC RORER INT (US) 1997-10-08 EP 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
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