SCHEMBL17870665

SCHEMBL17870665

Cc1nc2ccccc2cc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
STAT3 P40763 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
IGF1R P08069 1/20 0.47
MAPT P10636 3/20 0.45
GFER P55789 1/20 0.45
NGLY1 Q96IV0 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
PDE10A Q9Y233 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
Hydrochloric Acid SCHEMBL7830122 0.78 STAT3 (0.53) ALDH1A1HPGDSTAT3GAAKDM4E
SCHEMBL22410705 0.77 ALDH1A1 (0.53) ALDH1A1HPGDSTAT3GAAKDM4E
SCHEMBL5914177 0.77 KMT2A (0.53) ALDH1A1HPGDSTAT3GAAKDM4E
Acridine SCHEMBL29278305 0.77 ALDH1A1 (0.68) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL4939236 0.75 ALDH1A1 (0.61) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL28193476 0.75 ALDH1A1 (0.50) ALDH1A1HPGDSTAT3GAAKDM4E
SCHEMBL5579321 0.75 ABCB1 (0.45) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL3766360 0.74 MAPT (0.64) ALDH1A1HPGDGAAKDM4EMAPT
Hydrochloric Acid SCHEMBL15673453 0.74 ALDH1A1 (0.59) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL13017491 0.72 KDM4E (0.53) ALDH1A1HPGDSTAT3GAAKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001501-B Oxo-nitrogenated vanadium complex, catalytic system comprising same and process for (co) polymerizing conjugated dienes 维尔萨利斯股份公司 2020-06-23 CN disclosed
EP-3237463-B1 OXO-NITROGENATED VANADIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED VANADIUM COMPLEX AND PROCESS FOR (CO)POLYMERISING CONJUGATED DIENES VERSALIS SPA (IT) 2019-10-23 EP disclosed
US-10301408-B2 Oxo-nitrogenated vanadium complex, catalytic system comprising said oxo-nitrogenated vanadium complex and process for (co)polymerising conjugated dienes VERSALIS S.P.A. (IT) 2019-05-28 US disclosed
US-20170349682-A1 OXO-NITROGENATED VANADIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED VANADIUM COMPLEX AND PROCESS FOR (CO)POLYMERISING CONJUGATED DIENES VERSALIS S.P.A. (IT) 2017-12-07 US disclosed
EP-3237463-A1 OXO-NITROGENATED VANADIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED VANADIUM COMPLEX AND PROCESS FOR (CO)POLYMERISING CONJUGATED DIENES Versalis S.p.A. (IT) 2017-11-01 EP disclosed
CN-107001501-A Oxo nitridation vanudium complex, the catalyst system and catalyzing comprising oxo nitridation vanudium complex and the technique for making conjugated diene (co) polymerization 维尔萨利斯股份公司 2017-08-01 CN disclosed
WO-2016102639-A1 OXO-NITROGENATED VANADIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID OXO-NITROGENATED VANADIUM COMPLEX AND PROCESS FOR (CO)POLYMERISING CONJUGATED DIENES VERSALIS S.P.A. (IT) 2016-06-30 WO disclosed