SCHEMBL31621082

SCHEMBL31621082

O=C1OCc2cc(F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 1/20 0.61
MAOA P21397 7/20 0.59
MAOB P27338 7/20 0.59
PRF1 P14222 4/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 3/20 0.53
IMPDH2 P12268 1/20 0.49
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP3A4 P08684 1/20 0.46
PPIA P62937 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL365201 1.00 MAPT (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL30132801 0.84 MAOB (0.62) MAPTLMNAGAAMAOAMAOB
SCHEMBL856120 0.84 MAOB (0.62) MAPTLMNAGAAMAOAMAOB
SCHEMBL25386333 0.83 MAOB (0.54) MAPTLMNAGAAMAOAMAOB
SCHEMBL13932273 0.81 SRD5A1 (0.44) MAPTLMNAGAAMAOAMAOB
SCHEMBL25386767 0.80 MAOB (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL31470976 0.80 MAOB (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL4043697 0.78 MAPK14 (0.56)
SCHEMBL14559426 0.78 MAPK14 (0.60) MAPTGAAMAOAMAOBALDH1A1
SCHEMBL10554226 0.77 ALDH1A1 (0.53) MAPTGAAMAOAMAOBALDH1A1

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
CN-120157657-A Phthalazinone compound containing piperazinone, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2025-06-17 CN disclosed