SCHEMBL3158326

SCHEMBL3158326

COc1cc(CCN(C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25C P30307 3/20 0.65
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ KCNH2 Q12809 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ ACHE P22303 1/20 0.49
▸ AOC3 Q16853 1/20 0.49
▸ PDE7A Q13946 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PYCR1 P32322 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL7232380 0.90 CDC25C (0.58) CDC25CKMT2AMEN1THRBAPEX1
SCHEMBL3153190 0.89 CDC25C (0.67) CDC25CKMT2AMEN1THRBAPEX1
SCHEMBL3143117 0.82 KCNH2 (0.64) CDC25CKMT2AMEN1THRBAPEX1
SCHEMBL3143902 0.80 ACHE (0.65) CDC25CKMT2AMEN1THRBAPEX1
SCHEMBL3160224 0.80 CYP19A1 (0.68) KMT2AMEN1BLMKDM4ESMN1; SMN2
SCHEMBL1917318 0.79 CDC25C (1.00) CDC25CKMT2AMEN1THRBAPEX1
SCHEMBL8789302 0.78 ACHE (0.66) CDC25CKMT2AMEN1BLMKCNH2
SCHEMBL21774705 0.78 CDC25C (0.54) CDC25CKMT2AMEN1THRBAPEX1
SCHEMBL3149347 0.77 ALDH1A1 (0.63) CDC25CKMT2AMEN1THRBAPEX1
SCHEMBL7596877 0.77 ALDH1A1 (0.63) CDC25CKMT2AMEN1THRBAPEX1

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
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 — — EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 — — EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 — — EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 — — US disclosed
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 — — US disclosed
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 — — CN disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 — — EP disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 — — US disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 — — WO disclosed
Send feedback