SCHEMBL3149143

SCHEMBL3149143

CN(C)CCN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
NR3C1 P04150 1/20 0.48
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
TLR9 Q9NR96 1/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL3154780 0.84 MAPT (0.55) HTTNR3C1CRHBPCRHR2ALDH1A1
SCHEMBL3147717 0.82 NR3C1 (0.56) HTTNR3C1CRHBPCRHR2ALDH1A1
SCHEMBL3159593 0.81 NR3C1 (0.43) HTTNR3C1L3MBTL1MMP2
SCHEMBL3157890 0.80 MAPT (0.51) HTTNR3C1CRHBPCRHR2ALDH1A1
SCHEMBL3146623 0.79 MAPT (0.49) HTTNR3C1CRHBPCRHR2ALDH1A1
SCHEMBL3160449 0.78 MAPT (0.56) HTTCRHBPCRHR2ALDH1A1MEN1
SCHEMBL3162572 0.76 TMEM97 (0.53) NR3C1CRHBPCRHR2ALDH1A1MEN1
SCHEMBL3152289 0.76 CA9 (0.48) HTTNR3C1CRHBPCRHR2ALDH1A1
SCHEMBL4349260 0.73 CA12 (0.50) HTTCRHBPCRHR2ALDH1A1MEN1
SCHEMBL3159564 0.72 ALDH1A1 (0.55) CRHBPCRHR2ALDH1A1MEN1KMT2A

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
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP 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