SCHEMBL31417569

SCHEMBL31417569

C=Cc1c(C(=O)OC)cc(Br)c2c1CCO2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SOS1 Q07889 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ HTR4 Q13639 1/20 0.31
▸ TEAD1 P28347 1/20 0.30
▸ TEAD4 Q15561 1/20 0.30
▸ TEAD2 Q15562 1/20 0.30
▸ TEAD3 Q99594 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
SCHEMBL31417774 1.00 KDM4E (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417790 0.90 KDM4E (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417692 0.88 KDM4E (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417659 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL23698351 0.81 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30678550 0.81 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417622 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31115435 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10HTR4
SCHEMBL23698910 0.80 KDM4E (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL28947251 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10HTR4

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