SCHEMBL31599546

SCHEMBL31599546

O=c1ccc(OCc2ccccc2)cn1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.61
▸ HRH3 Q9Y5N1 2/20 0.49
▸ S1PR5 Q9H228 1/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SNRNP200 O75643 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ BRD2 P25440 1/20 0.48
▸ BRD3 Q15059 1/20 0.48
▸ BRDT Q58F21 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ GSTP1 P09211 1/20 0.47

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
SCHEMBL9950840 0.86 NPC1 (0.51) MAPK14NPC1SMN1; SMN2RAB9ATP53
SCHEMBL24820991 0.83 BRD4 (0.48) MAPK14HRH3SMN1; SMN2RAB9AALDH1A1
SCHEMBL18951821 0.82 SIGMAR1 (0.54) TP53ALDH1A1KMT2AKDM4EBRD4
SCHEMBL29161591 0.81 HRH3 (0.47) MAPK14HRH3NPC1SMN1; SMN2RAB9A
SCHEMBL5194377 0.80 HRH3 (0.47) HRH3NPC1SMN1; SMN2RAB9ATP53
SCHEMBL5448903 0.80 MAPK14 (0.54) MAPK14HRH3S1PR5NR4A2MAPT
SCHEMBL5440765 0.79 L3MBTL1 (0.52) HRH3NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2177074 0.76 MAPK14 (1.00) MAPK14SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL29821531 0.76 BRD4 (0.56) MAPK14SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL27772274 0.74 MAPT (0.63) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A

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-2025111251-A1 COMPOUNDS THAT INHIBIT POLO-LIKE KINASE 4 EXELIXIS, INC. (US) 2025-05-30 — — WO disclosed
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