SCHEMBL30058049

SCHEMBL30058049

c1ccc(-c2cc(NCCCn3cncn3)cc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ CSNK1G2 P78368 1/20 0.39
▸ CSNK1G1 Q9HCP0 1/20 0.39
▸ EGLN3 Q9H6Z9 1/20 0.37

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
SCHEMBL23875575 1.00 KDM4E (0.40) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL25783488 0.85 KDM4E (0.38) KDM4EMEN1KMT2AMAPTGSK3A
SCHEMBL23875599 0.83 CSNK2A2 (0.33) SMN1; SMN2HTTGSK3AGSK3BCSNK2A2
SCHEMBL25798557 0.82 CYP19A1 (0.43) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL25783415 0.78 MMP2 (0.51) KDM4ELMNAMAPTSMN1; SMN2HTT
SCHEMBL23875613 0.76 MAPT (0.45) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL23875556 0.74 SMN1; SMN2 (0.41) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL23875506 0.74 MAPT (0.51) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL30060844 0.72 MAPT (0.40) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL23875524 0.72 MAPT (0.40) KDM4ELMNAMEN1KMT2AMAPT

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
CN-115335046-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-11-11 — — CN disclosed
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