SCHEMBL7389328

SCHEMBL7389328

C1CC2CC1O2.COc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ AR P10275 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP2C19 P33261 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ POLB P06746 3/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL8213702 0.85 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL3317724 0.68 POLB (0.55) ARSMN1; SMN2TSHRATMNPSR1
SCHEMBL1542104 0.68 SMN1; SMN2 (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL9675030 0.67 PARP1 (0.53) SMN1; SMN2TSHRATMNPSR1MAPK1
SCHEMBL27741179 0.67 SMN1; SMN2 (0.47) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL6236381 0.65 LMNA (0.53) ARSMN1; SMN2TSHRATMNPSR1
SCHEMBL3312900 0.65 SMN1; SMN2 (0.49) ARSMN1; SMN2TSHRGAAMAPT
SCHEMBL1966860 0.65 CNR1 (0.59) SMN1; SMN2CYP2C19CYP3A4GAAALDH1A1
SCHEMBL31134461 0.65 CNR1 (0.59) SMN1; SMN2CYP2C19CYP3A4GAAALDH1A1
SCHEMBL1789261 0.64 ATM (0.50) ARGAAMAPTATMNPSR1

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
EP-0934933-A1 Phthalazinones Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-08-11 — — EP disclosed
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