SCHEMBL1116268

SCHEMBL1116268

COc1ncc(-c2ccc(C=O)o2)c(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ QPCT Q16769 1/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ POLB P06746 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PLAU P00749 1/20 0.36
▸ FLT3 P36888 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
SCHEMBL6858213 0.77 GSK3B (0.39) KDM4EFAAHCES1QPCTQPCTL
SCHEMBL1116221 0.76 HTR2A (0.41) ALDH1A1KDM4EFAAHCES1QPCT
SCHEMBL1116224 0.76 HTR2A (0.41) ALDH1A1KDM4EFAAHCES1QPCT
SCHEMBL22345001 0.75 ALDH1A1 (0.43) ALDH1A1KDM4ECYP2E1CYP3A4CYP2D6
SCHEMBL918714 0.75 KDM4E (0.40) ALDH1A1KDM4ECYP2E1CYP3A4CYP2D6
SCHEMBL1116275 0.74 KDM4E (0.51) ALDH1A1KDM4ECYP2E1CYP3A4CYP2D6
SCHEMBL30961329 0.72 FAAH (0.46) FAAHCES1QPCTQPCTLPOLB
SCHEMBL6858605 0.72 PLAU (0.36) FAAHCES1QPCTQPCTLPLAU
SCHEMBL27594528 0.71 QPCT (0.44) ALDH1A1FAAHCES1QPCTQPCTL
SCHEMBL30463591 0.69 FAAH (0.45) ALDH1A1KDM4EFAAHCES1QPCT

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
WO-2011015646-A2 FURAN-IMIDAZOLONE DERIVATIVES, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2011-02-10 — — WO disclosed
WO-2011015646-A2 FURAN-IMIDAZOLONE DERIVATIVES, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2011-02-10 — — WO disclosed
EP-2281824-A1 Furan-imidazolone derivatives, for the treatment of cognitive, neurodegenerative or neuronal diseases or disorders NOSCIRA, S.A. (ES) 2011-02-09 — — EP disclosed
EP-2281824-A1 Furan-imidazolone derivatives, for the treatment of cognitive, neurodegenerative or neuronal diseases or disorders NOSCIRA, S.A. (ES) 2011-02-09 — — EP disclosed
Send feedback