SCHEMBL3151952

SCHEMBL3151952

CN(CCc1ccc(O)c(O)c1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25C P30307 4/20 0.66
▸ MEN1 O00255 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ KCNH2 Q12809 4/20 0.52
▸ PYCR1 P32322 1/20 0.51
▸ SIGMAR1 Q99720 3/20 0.48
▸ CCR5 P51681 1/20 0.47
▸ TMEM97 Q5BJF2 2/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
SCHEMBL3143117 0.85 KCNH2 (0.64) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL13886168 0.82 DRD1 (0.59) APEX1RECQLBLMTDP1SIGMAR1
SCHEMBL1917276 0.82 CDC25C (0.78) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL3149347 0.80 ALDH1A1 (0.63) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL7596877 0.80 ALDH1A1 (0.63) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL7544044 0.80 IGF1R (0.57) MEN1BLMKMT2AKCNH2SIGMAR1
SCHEMBL1916880 0.80 CDC25C (1.00) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL3153190 0.79 CDC25C (0.67) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL3156945 0.79 KCNH2 (0.57) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL3157661 0.79 KDM4E (0.51) APEX1RECQLBLMTDP1SIGMAR1

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 6 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
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 — — US disclosed
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