SCHEMBL19354355

SCHEMBL19354355

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnn3c(CC(O)CO)cnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 11/20 0.39
▸ PDE2A O00408 2/20 0.37
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ APLNR P35414 1/20 0.34

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
SCHEMBL19354356 0.86 PDE1B (0.36) PDE1BPDE2AMAPTLMNA
SCHEMBL19354358 0.83 MEN1 (0.34) PDE1BPDE2ACCNE2CCNE1CDK2
SCHEMBL19354352 0.81 PDE2A (0.36) PDE1BPDE2AMAPTLMNASCN1A
SCHEMBL19354354 0.80 PDE1B (0.42) PDE1BPDE2AMAPTLMNASCN1A
SCHEMBL19354353 0.78 PDE1B (0.44) PDE1BPDE2AMAPTLMNAKDM4E
SCHEMBL30678371 0.77 PDE1B (0.42) PDE1BKDM4ENPC1ALDH1A1RAB9A
SCHEMBL29921576 0.75 PDE1B (0.41) PDE1BPDE2AMAPTLMNAKDM4E
SCHEMBL19354351 0.74 PDE1B (0.32) PDE1BPDE2AMAPTLMNAMEN1
SCHEMBL30523334 0.72 BMPR1B (0.42) PDE1BPDE2AMAPTLMNASCN1A
SCHEMBL30523321 0.71 PDE1B (0.38) PDE1BPDE2AMAPTLMNAKDM4E

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-2017156262-A1 ACYCLIC ANTIVIRALS ALIOS BIOPHARMA, INC. (US) 2017-09-14 — — WO disclosed
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