SCHEMBL28103624

SCHEMBL28103624

CCOc1ccc(N2CCC(C=O)N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 7/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL28103613 0.81 MGLL (0.37) LMNAALDH1A1MAPTHPGDL3MBTL1
SCHEMBL28103531 0.78 POLB (0.38) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL28103276 0.77 KDM4E (0.39) TP53POLBKDM4E
SCHEMBL27380663 0.76 ALOX5 (0.44) MEN1KMT2A
SCHEMBL27873898 0.76 NOTUM (0.36) LMNAALDH1A1MAPTTP53HPGD
SCHEMBL28103270 0.76 ALDH1A1 (0.34) LMNAALDH1A1GAAMAPK1
SCHEMBL27671224 0.76 ALOX5 (0.41) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL27505117 0.75 DDB1 (0.31) —
SCHEMBL28103547 0.73 ADRB2 (0.41) ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL28103503 0.72 NOTUM (0.40) GAA

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-106061950-A Method for producing pyrazole compound 住友化学株式会社 2016-10-26 — — CN disclosed
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