SCHEMBL23875599

SCHEMBL23875599

Cc1c2[nH]c3cccc(-c4cccc(-c5cc(NCCCn6cncn6)cc6c5[nH]c5ccccc56)c4)c3c2cc2[nH]c3ccccc3c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK1G2 P78368 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ QPCT Q16769 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP19A1 P11511 1/20 0.30
▸ TLR9 Q9NR96 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL30058049 0.83 KDM4E (0.40) CSNK2A2FGFR2KDRCSNK1A1CSNK1D
SCHEMBL23875575 0.83 KDM4E (0.40) CSNK2A2FGFR2KDRCSNK1A1CSNK1D
SCHEMBL25783488 0.70 KDM4E (0.38) CSNK2A2FGFR2KDRCSNK1A1CSNK1D
SCHEMBL25798557 0.68 CYP19A1 (0.43) HTTSMN1; SMN2CYP19A1
SCHEMBL25792508 0.66 EGLN3 (0.47) HTTSMN1; SMN2CYP19A1CYP3A4
SCHEMBL25783415 0.66 MMP2 (0.51) HTTSMN1; SMN2CYP3A4CYP2D6KCNH2
SCHEMBL23875628 0.65 ALDH1A1 (0.44) HTTSMN1; SMN2
SCHEMBL22044246 0.65 MAPT (0.59) HTTSMN1; SMN2CYP3A4CYP2D6NQO2
SCHEMBL23875556 0.62 SMN1; SMN2 (0.41) GSK3BHTTSMN1; SMN2CYP19A1
SCHEMBL26729883 0.62 IMPDH2 (0.53) HTTSMN1; 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-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 — — WO disclosed
Send feedback