SCHEMBL14516232

SCHEMBL14516232

O=C(CN1CCCC1)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ USP2 O75604 1/20 0.58
▸ NAMPT P43490 5/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ CNR1 P21554 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ KCNH2 Q12809 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL9581668 0.81 MEN1 (0.71) MEN1KMT2AUSP2ALDH1A1SMN1; SMN2
SCHEMBL27886023 0.81 MEN1 (0.71) MEN1KMT2AUSP2ALDH1A1SMN1; SMN2
SCHEMBL12282111 0.78 MEN1 (0.76) MEN1KMT2AUSP2NAMPTALDH1A1
SCHEMBL10851211 0.78 MEN1 (0.76) MEN1KMT2AUSP2NAMPTALDH1A1
SCHEMBL2241959 0.78 ALDH1A1 (0.67) MEN1KMT2AUSP2ALDH1A1SMN1; SMN2
SCHEMBL3770117 0.77 KDM4E (0.54) MEN1KMT2AUSP2ALDH1A1SMN1; SMN2
SCHEMBL4072272 0.77 MEN1 (0.84) MEN1KMT2AUSP2NAMPTALDH1A1
SCHEMBL12286004 0.76 GAA (0.50) USP2NAMPTALDH1A1SMN1; SMN2NPC1
SCHEMBL1193355 0.75 ALDH1A1 (0.63) MEN1KMT2AUSP2ALDH1A1SMN1; SMN2
SCHEMBL28811687 0.75 ALDH1A1 (0.63) MEN1KMT2AUSP2NAMPTALDH1A1

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
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 — — WO disclosed
Send feedback