SCHEMBL18029915

SCHEMBL18029915

CCCCCCCCCCCCCCCCc1nc(N2CCC2)nc(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL18005531 0.88 KDM4E (0.35) MEN1KMT2ALMNACHRM1CETP
SCHEMBL19899801 0.88 NPY5R (0.36) MEN1KMT2ALMNACHRM1CETP
SCHEMBL19900131 0.88 NPY5R (0.36) MEN1KMT2ALMNACHRM1CETP
SCHEMBL18005415 0.85 KCNQ3 (0.38) MEN1KMT2ALMNA
SCHEMBL18005359 0.84 SMN1; SMN2 (0.35) MEN1KMT2ALMNACHRM1SMN1; SMN2
SCHEMBL18005432 0.84 CNR1 (0.32) MEN1KMT2ALMNACHRM1KDM4E
SCHEMBL22509220 0.84 SMN1; SMN2 (0.35) MEN1KMT2ALMNACHRM1SMN1; SMN2
SCHEMBL18005358 0.80 CHRM1 (0.30) CHRM1
SCHEMBL19900340 0.80 CHRM1 (0.30) CHRM1
SCHEMBL18005522 0.77 MEN1 (0.32) MEN1KMT2ALMNACHRM1SMN1; SMN2

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-2016133959-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-08-25 — — WO disclosed
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