SCHEMBL29623745

SCHEMBL29623745

Clc1ncnc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL29623718 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL21295404 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9026332 0.96 LMNA (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL17445455 0.89 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL21436898 0.87 GP6 (0.42) SMN1; SMN2LMNAMEN1KMT2AHPGD
SCHEMBL29240236 0.85 CYP2A6 (0.39) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL23008430 0.85 NPC1 (0.52) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL13719392 0.85 NPC1 (0.52) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL16922581 0.85 NPC1 (0.52) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL23008279 0.85 NPC1 (0.52) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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-112390789-B Electron transport material and organic electroluminescent device using same 南京高光半导体材料有限公司 2022-05-13 CN disclosed