SCHEMBL29685232

SCHEMBL29685232

Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4C)nc3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.43
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
ADORA1 P30542 3/20 0.37

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
SCHEMBL1228342 0.94 ENPP3 (0.45) ENPP3ENPP1KDM4EALDH1A1HPGD
SCHEMBL1228210 0.91 ENPP3 (0.47) ENPP3ENPP1KDM4EALDH1A1HPGD
SCHEMBL12112798 0.89 CRHR1 (0.41) CRHR1KDM4EALDH1A1HPGDHSD17B10
Bathocuproine SCHEMBL29356702 0.87 CRHR1 (0.48) CRHR1KDM4EALDH1A1HPGDHSD17B10
Bathocuproine SCHEMBL20526077 0.87 CRHR1 (0.48) CRHR1KDM4EALDH1A1HPGDHSD17B10
Bathocuproine SCHEMBL29351092 0.87 CRHR1 (0.48) CRHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12112782 0.87 ACACA (0.40) CRHR1KDM4EALDH1A1HPGDHSD17B10
Bathocuproine SCHEMBL36914 0.87 CRHR1 (0.48) CRHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12112649 0.86 ACACA (0.48) CRHR1KDM4EALDH1A1HPGDHSD17B10
Bathocuproine SCHEMBL5398100 0.85 CRHR1 (0.47) CRHR1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763358-A Light emitting device and polycyclic compound for light emitting device 三星显示有限公司 2022-07-19 CN disclosed