SCHEMBL29429975

SCHEMBL29429975

C=Cc1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
KDM4E B2RXH2 7/20 0.57
LMNA P02545 6/20 0.57
PKM P14618 2/20 0.57
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 2/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ECE2 P0DPD6 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL108424 1.00 RAB9A (0.57) RAB9ANPC1KDM4ELMNAPKM
Benzene SCHEMBL28097017 0.98 NPC1 (0.60) RAB9ANPC1KDM4ELMNAPKM
Naphthalene SCHEMBL27705717 0.98 RAB9A (0.55) RAB9ANPC1KDM4ELMNAPKM
Phenanthrene SCHEMBL28773691 0.92 NPC1 (0.50) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL26623593 0.92 RAB9A (0.50) RAB9ANPC1KDM4ELMNAPKM
Formamide SCHEMBL9732751 0.90 NPC1 (0.49) RAB9ANPC1KDM4ELMNAPKM
Quinoline SCHEMBL28085955 0.89 ALDH1A1 (0.61) RAB9ANPC1KDM4ELMNAPKM
Aniline SCHEMBL27799827 0.89 NPC1 (0.51) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL27531186 0.84 RAB9A (0.61) RAB9ANPC1KDM4ELMNAPKM
Carbazole SCHEMBL27941204 0.84 NR0B1 (0.51) RAB9ANPC1KDM4ELMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704757-B1 ELECTROLYTE COMPOSITION COMMW SCIENT IND RES ORG (AU) 2025-07-09 EP claimed
CN-118480047-A Galanthamine derivative and application thereof 广东东阳光药业股份有限公司 2024-08-13 CN claimed
WO-2025038420-A1 KAPPA OPIOID RECEPTOR ANTAGONIST AND METHODS AND PRODUCTS RELATED THERETO Neumora Therapeutics, Inc. (US) 2025-02-20 WO disclosed
CN-118480047-A Galanthamine derivative and application thereof 广东东阳光药业股份有限公司 2024-08-13 CN disclosed
WO-2022045189-A1 HEAT-SENSITIVE RECORDING BODY AND IMAGE FORMATION METHOD キヤノン株式会社 2022-03-03 WO disclosed
WO-2022045186-A1 HEAT-SENSITIVE RECORDING BODY AND IMAGE FORMATION METHOD キヤノン株式会社 2022-03-03 WO disclosed