SCHEMBL9038732

SCHEMBL9038732

O=C1c2ccccc2CCc2cnn(Cc3ccccc3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.53
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
CES1 P23141 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
ALOX12 P18054 1/20 0.44
ADORA2A P29274 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL11638383 0.75 ADORA2A (0.49) ALDH1A1LMNAIDO1TDO2MAPT
SCHEMBL11639056 0.72 ADORA2A (0.47) ALDH1A1LMNAIDO1TDO2MAPT
SCHEMBL9219418 0.70 TSHR (0.40) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL22904142 0.69 MEN1 (0.46) ALDH1A1LMNAIDO1MAPTKDM4E
SCHEMBL9043662 0.69 ALDH1A1 (0.53) ALDH1A1LMNAIDO1TDO2CES1
SCHEMBL17338762 0.68 AADAT (0.47) ALDH1A1LMNAIDO1MAPTKDM4E
SCHEMBL9220188 0.68 AADAT (0.47) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL44496 0.67 CES1 (0.90) ALDH1A1CES1MAPTKMT2AMEN1
SCHEMBL29408351 0.67 CES1 (0.90) ALDH1A1CES1MAPTKMT2AMEN1
SCHEMBL29437756 0.67 CES1 (0.90) ALDH1A1CES1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339978-B1 Fused polycyclic compounds, compositions, methods of manufacture, and their use as PAF antagonists, antihistamines and/or antiinflammatory agents SCHERING CORP (US) 1996-08-21 EP disclosed
EP-0412988-A1 FUSED POLYCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND THEIR USE AS PAF ANTAGONISTS, ANTIHISTAMINES AND/OR ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1991-02-20 EP disclosed
EP-0339978-A1 Fused polycyclic compounds, compositions, methods of manufacture, and their use as PAF antagonists, antihistamines and/or antiinflammatory agents SCHERING CORPORATION (US) 1989-11-02 EP disclosed
WO-1989010363-A1 FUSED POLYCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND THEIR USE AS PAF ANTAGONISTS, ANTIHISTAMINES AND/OR ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1989-11-02 WO disclosed