SCHEMBL31417579

SCHEMBL31417579

COC(=O)c1cc(Br)c(OCC(OC)OC)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ALDH1A1 P00352 8/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL31417695 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1LMNAPDGFRBFGFR1
SCHEMBL21437253 0.88 KMT2A (0.36) SMN1; SMN2MAPK1LMNAPDGFRBFGFR1
SCHEMBL25883319 0.82 HPGD (0.36) SMN1; SMN2LMNAPDGFRBFGFR1PDGFRA
SCHEMBL18920679 0.79 KDM4E (0.47) SMN1; SMN2MAPK1LMNAALDH1A1KDM4E
SCHEMBL31417734 0.78 OPRK1 (0.34) SMN1; SMN2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL31417728 0.78 OPRK1 (0.34) SMN1; SMN2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL28437033 0.76 SMPD1 (0.50) SMN1; SMN2LMNAALDH1A1KDM4EMAPT
SCHEMBL2142999 0.75 TDP1 (0.37) SMN1; SMN2MAPK1LMNAPDGFRBFGFR1
SCHEMBL23698965 0.74 HTT (0.50) SMN1; SMN2LMNAMAPTGAATDP1
SCHEMBL155216 0.73 NOTUM (0.45) LMNAPDGFRBFGFR1PDGFRAFLT1

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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