SCHEMBL3426905

SCHEMBL3426905

COc1c(C(=O)N2CCC(OC(N)=O)CC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ SMO Q99835 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
SCHEMBL10314493 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1079829 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL10314231 0.87 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL3425434 0.87 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL4291973 0.86 SMO (0.46) SMN1; SMN2MEN1KMT2AALDH1A1SMO
Hydrochloric Acid SCHEMBL1055344 0.86 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL3428846 0.86 SMO (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL1061755 0.86 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL10314464 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1058147 0.84 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-11-10 — — EP disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — WO disclosed
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