SCHEMBL3149099

SCHEMBL3149099

CN(C(=O)CN(CCO)CCO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 6/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
MMP14 P50281 1/20 0.42
TSHR P16473 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 2/20 0.40
SLC22A2 O15244 1/20 0.40
ADRB1 P08588 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC47A2 Q86VL8 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40

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
SCHEMBL3145062 0.85 KCNH2 (0.45) MAPTALDH1A1GAASMN1; SMN2POLB
SCHEMBL3155889 0.83 ALDH1A1 (0.49) MAPTALDH1A1GAASMN1; SMN2POLB
SCHEMBL3152935 0.80 GSK3B (0.53) MAPTALDH1A1GAASMN1; SMN2MMP14
SCHEMBL3151841 0.80 POLB (0.46) MAPTALDH1A1GAASMN1; SMN2POLB
SCHEMBL3159644 0.79 CYP3A4 (0.43) MAPTALDH1A1GAASMN1; SMN2TSHR
SCHEMBL1706262 0.79 MAPT (0.53) MAPTALDH1A1GAASMN1; SMN2MMP14
SCHEMBL3146418 0.78 POLB (0.49) MAPTALDH1A1GAASMN1; SMN2POLB
SCHEMBL28799029 0.77 ALDH1A1 (0.49) MAPTALDH1A1GAASMN1; SMN2POLB
SCHEMBL1232308 0.77 MAPT (0.49) MAPTALDH1A1GAASMN1; SMN2POLB
SCHEMBL3149238 0.77 ALDH1A1 (0.44) MAPTALDH1A1GAASMN1; SMN2MMP14

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