SCHEMBL13959902

SCHEMBL13959902

C/C=C1/CCCCCN1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ PSMD14 O00487 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ INMT O95050 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ LMNA P02545 2/20 0.33
▸ IDE P14735 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL13959889 0.98 — —
SCHEMBL11280612 0.90 — —
SCHEMBL19243853 0.90 — —
SCHEMBL23430319 0.79 — —
SCHEMBL13959888 0.79 — —
SCHEMBL18576755 0.73 INMT (0.38) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL29957090 0.73 MEN1 (0.49) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL18874469 0.71 — —
SCHEMBL14818808 0.70 MEN1 (0.40) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL30678491 0.70 MEN1 (0.36) MEN1MAPTKMT2AALDH1A1GAA

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-2009003999-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 — — WO disclosed
Send feedback