SCHEMBL2490338

SCHEMBL2490338

NNC(=O)CCn1nnc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
MAPT P10636 3/20 1.00
EGLN3 Q9H6Z9 1/20 0.68
ALDH1A1 P00352 4/20 0.64
RAB9A P51151 3/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
GAA P10253 1/20 0.59
HSD17B10 Q99714 2/20 0.56
POLB P06746 2/20 0.56
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
SLC9A1 P19634 2/20 0.54
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL28801301 0.83 RAB9A (0.81) KDM4EMAPTEGLN3ALDH1A1RAB9A
SCHEMBL29705990 0.83 RAB9A (0.81) KDM4EMAPTEGLN3ALDH1A1RAB9A
SCHEMBL24412639 0.82 KDM4E (0.69) KDM4EMAPTEGLN3ALDH1A1RAB9A
SCHEMBL6885340 0.81 EGLN3 (1.00) KDM4EMAPTEGLN3ALDH1A1RAB9A
SCHEMBL3457145 0.80 EGLN3 (0.74) KDM4EMAPTEGLN3ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL31714030 0.80 EGLN3 (0.97) KDM4EMAPTEGLN3ALDH1A1RAB9A
SCHEMBL23880029 0.79 EGLN3 (0.68) KDM4EMAPTEGLN3ALDH1A1RAB9A
SCHEMBL6846939 0.79 EGLN3 (0.68) KDM4EMAPTEGLN3ALDH1A1RAB9A
SCHEMBL15149124 0.78 EGLN3 (0.70) KDM4EMAPTEGLN3ALDH1A1RAB9A
SCHEMBL24412687 0.77 SLC9A1 (0.64) KDM4EMAPTEGLN3ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed