SCHEMBL9736291

SCHEMBL9736291

CCc1ccc2cc3n(c2c1)C(=O)CC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.57
▸ PLA2G10 O15496 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ DAO P14920 1/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9735956 0.76 NOTUM (0.62) NOTUMDAOALDH1A1LMNAMAPT
SCHEMBL9844700 0.76 NOTUM (0.62) NOTUMPLA2G10CYP1A2CYP2A6DAO
SCHEMBL946355 0.76 NOTUM (0.62) NOTUMCYP2A6ALDH1A1MAPTSMN1; SMN2
SCHEMBL30615209 0.73 NOTUM (1.00) NOTUMDAOALDH1A1MAPTKDM4E
SCHEMBL946554 0.72 NOTUM (0.57) NOTUM
SCHEMBL9844702 0.69 NOTUM (0.62) NOTUMCYP1A2CYP2A6DAONPC1
SCHEMBL9261564 0.66 NOTUM (0.57) NOTUMCYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL763376 0.65 BRPF1 (0.53) CYP1A2CYP2A6DAOHTR7PGR
SCHEMBL7006777 0.65 HTR7 (0.39) PLA2G10PLA2G2ACYP1A2CYP2A6DAO
SCHEMBL31425886 0.65 BRPF1 (0.49) CYP1A2CYP2A6DAOHTR7PGR

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
WO-1992021678-A1 LIPOXYGENASE INHIBITING PYRROLO [1,2a]INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-12-10 — — WO disclosed
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