SCHEMBL23875889

SCHEMBL23875889

c1ccc2c(c1)[nH]c1c(OCCn3cncn3)c3c(cc12)[nH]c1cc(-c2ccc4c(c2)[nH]c2cc5c(ccn5CCn5cncn5)cc24)ccc13

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ EGLN3 Q9H6Z9 1/20 0.31
▸ CYP19A1 P11511 3/20 0.30
▸ CYP11B1 P15538 1/20 0.30

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
SCHEMBL23875628 0.83 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL23875666 0.82 EGLN3 (0.44) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL30059669 0.82 EGLN3 (0.44) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL23875457 0.75 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL25783395 0.68 CYP24A1 (0.46) SMN1; SMN2KDM4EMEN1KMT2ACYP19A1
SCHEMBL23875533 0.67 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL25783758 0.66 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL25783423 0.66 SMN1; SMN2 (0.52) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL23875449 0.65 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL25785696 0.65 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1TP53MAPK1

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-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 — — WO disclosed
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