SCHEMBL3156396

SCHEMBL3156396

O=[N+]([O-])c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
CCR3 P51677 1/20 0.70
BCHE P06276 3/20 0.67
ACHE P22303 3/20 0.67
BACE1 P56817 3/20 0.67
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SIGMAR1 Q99720 2/20 0.63
GAA P10253 1/20 0.61
DRD4 P21917 1/20 0.60

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
SCHEMBL5626457 0.85 ALDH1A1 (0.74) BCHEACHEBACE1ALDH1A1LMNA
SCHEMBL2004615 0.84 CCR3 (1.00) MEN1KMT2ACCR3ACHEALDH1A1
SCHEMBL8191786 0.82 CCR3 (0.96) MEN1KMT2ACCR3ACHEALDH1A1
SCHEMBL7977320 0.82 CCR3 (0.96) MEN1KMT2ACCR3ACHEALDH1A1
SCHEMBL6427625 0.82 MAPT (0.65) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL3157794 0.82 TRPV6 (0.77) MEN1KMT2ABCHEACHEBACE1
SCHEMBL13168271 0.82 SIGMAR1 (0.79) BCHEACHEBACE1SIGMAR1DRD4
SCHEMBL25170627 0.82 SIGMAR1 (0.60) BCHEACHEBACE1ALDH1A1LMNA
SCHEMBL3156593 0.82 SIGMAR1 (0.60) MEN1KMT2ABCHEACHEBACE1
SCHEMBL7397301 0.80 TMEM97 (0.73) MEN1KMT2AALDH1A1HTTMAPT

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 12 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-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP 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
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
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 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
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed