SCHEMBL14929655

SCHEMBL14929655

c1ccc2c(c1)cnc1c2nc2ccccn21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.59
GABRG2 P18507 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA3 P34903 1/20 0.59
GABRA2 P47869 1/20 0.59
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 4/20 0.53
GLA P06280 4/20 0.53
GAA P10253 4/20 0.53
HSD17B10 Q99714 4/20 0.53
HPGD P15428 3/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
PARP1 P09874 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL16905527 0.73 KDM4E (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30966873 0.72 KDM4E (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10062341 0.72 KDM4E (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19314392 0.71 NPC1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19314480 0.71 NPC1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL21497924 0.71 NPC1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19314589 0.69 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14929656 0.69 TLR7 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2488607 0.69 KDM4E (0.58) KDM4EALDH1A1NPC1HSD17B10PARP1
SCHEMBL21419469 0.68 KDM4E (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2

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
WO-2023081261-A1 TUNABLE FLUORESCENT COMPOUNDS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-05-11 WO disclosed
EP-3214085-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME Heesung Material Ltd. (KR) 2017-09-06 EP disclosed
US-9331290-B2 Metal complexes MERCK PATENT GMBH (DE) 2016-05-03 US disclosed
US-20130112920-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed