SCHEMBL30375151

SCHEMBL30375151

c1ccc(-c2ccc(-c3ncnc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL23008430 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13719392 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16922581 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL23008279 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL56387 0.95 L3MBTL1 (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
Ammonia Solution, Strong SCHEMBL28360184 0.92 L3MBTL1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL25577208 0.91 MEN1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL20233864 0.91 KMO (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL23277200 0.89 NOTUM (0.60) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL23008314 0.89 GP6 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546144-A Carbazole triazine organic light-emitting material and organic electroluminescent device 西安凯翔光电科技有限公司 2024-08-27 CN disclosed
WO-2024005118-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2024-01-04 WO disclosed
WO-2023052905-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, THIN FILM, LIGHT-EMITTING APPARATUS, ELECTRONIC APPLIANCE, AND ILLUMINATOR 株式会社半導体エネルギー研究所 2023-04-06 WO disclosed