SCHEMBL31417577

SCHEMBL31417577

COC(=O)c1cc(Br)c2c(c1I)OCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ FUCA1 P04066 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NR4A2 P43354 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 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
SCHEMBL14126349 0.83 ALDH1A1 (0.38) SOS1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL31417732 0.83 KDM4E (0.44) SOS1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31417622 0.81 KDM4E (0.37) SOS1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL31417790 0.80 KDM4E (0.36) SOS1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL23698351 0.79 KDM4E (0.39) SOS1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL20558746 0.79 KDM4E (0.39) SOS1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL19126021 0.79 ALDH1A1 (0.39) SOS1KDM4EALDH1A1FUCA1SMN1; SMN2
SCHEMBL30678550 0.79 KDM4E (0.39) SOS1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL22032173 0.78 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL23698910 0.78 KDM4E (0.38) SOS1KDM4EALDH1A1SMN1; SMN2HPGD

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
Send feedback