SCHEMBL23609286

SCHEMBL23609286

Clc1ccc(-c2ccccc2)c(NCCn2cncn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 5/20 0.41
TLR9 Q9NR96 1/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CSNK2A2 P19784 1/20 0.36
FGFR2 P21802 1/20 0.36
KDR P35968 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL23609004 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23608978 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609257 0.81 KDM4E (0.41) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL29974861 0.81 KDM4E (0.41) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609238 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23579458 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609298 0.74 PDE5A (0.49) KDM4EMAPTLMNAALDH1A1TDP1
SCHEMBL23609429 0.74 PGK1 (0.45) SMN1; SMN2HTTMAPTLMNAALDH1A1
SCHEMBL23609386 0.73 SMN1; SMN2 (0.46) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23875581 0.72 CYP19A1 (0.51) SMN1; SMN2HTTKDM4EMAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed