SCHEMBL29833239

SCHEMBL29833239

Nc1ccc(-c2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.72
▸ RAB9A P51151 6/20 0.72
▸ KMT2A Q03164 5/20 0.72
▸ MEN1 O00255 4/20 0.72
▸ MAPT P10636 4/20 0.72
▸ SMN1; SMN2 Q16637 4/20 0.72
▸ KDM4E B2RXH2 3/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ HPGD P15428 3/20 0.72
▸ MAPK1 P28482 1/20 0.50
▸ PLA2G2A P14555 3/20 0.47
▸ PLA2G4A P47712 3/20 0.47
▸ AHR P35869 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL10307234 1.00 NPC1 (0.72) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL29789019 1.00 NPC1 (0.72) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL26311700 0.90 MAPT (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL24171975 0.90 MAPT (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL20706697 0.90 MAPT (0.61) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL18678197 0.89 KMT2A (0.70) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL15835969 0.88 MAPT (0.63) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL10478418 0.88 MAPT (0.63) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2039941 0.88 MAPT (0.63) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL15835950 0.88 MAPT (0.63) NPC1RAB9AKMT2AMEN1MAPT

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-116982405-A Organic electroluminescent element and electronic device thereof 保土谷化学工业株式会社 2023-10-31 — — CN disclosed
CN-115104380-A Organic electroluminescent element 保土谷化学工业株式会社 2022-09-23 — — CN disclosed
CN-109476626-B Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2022-09-09 — — CN disclosed
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