SCHEMBL3144573

SCHEMBL3144573

Cc1cc(C)n(OC(=N)N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.40
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
NOS1 P29475 1/20 0.36
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
PIK3CG P48736 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 2/20 0.33
GLA P06280 1/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7118099 0.81 ENPP3 (0.44) KDM4EGAALMNAALDH1A1PKM
SCHEMBL6141681 0.74 LMNA (0.47) KDM4EGAALMNAALDH1A1PKM
SCHEMBL27836117 0.74 HSD17B10 (0.44) KDM4EGAALMNAALDH1A1PKM
SCHEMBL19366059 0.70
SCHEMBL369236 0.69 TSHR (0.48) UBE2TKDM4ENOS1ALDH1A1TSHR
SCHEMBL31379946 0.68 GAA (0.38) KDM4EGAALMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL6943796 0.68 TSHR (0.47) UBE2TKDM4ENOS1ALDH1A1TSHR
SCHEMBL31379945 0.68 GAA (0.38) KDM4EGAALMNAALDH1A1TSHR
SCHEMBL28008522 0.67 TDP1 (0.48) GAALMNAALDH1A1TSHRENPP3
SCHEMBL2564876 0.67 KDM4E (0.38) KDM4EGAAHTTLMNAALDH1A1

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 8 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-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 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
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
EP-0416499-B1 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AG (DE) 1995-04-26 EP disclosed
EP-0450429-A1 Cyclophanes, process for their preparation and pharmaceuticals containing them Dr. Karl Thomae GmbH (DE) 1991-10-09 EP disclosed
EP-0416499-A2 Benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed