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
SCHEMBL946355 0.76 NOTUM (0.62) NOTUMCYP2A6ALDH1A1MAPTSMN1; SMN2
SCHEMBL9844700 0.76 NOTUM (0.62) NOTUMPLA2G10CYP1A2CYP2A6DAO
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