SCHEMBL31417790

SCHEMBL31417790

C=Cc1c(C(=O)OC)cc(Br)c2c1OCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTR4 Q13639 3/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ TEAD1 P28347 1/20 0.30
▸ TEAD4 Q15561 1/20 0.30
▸ TEAD2 Q15562 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
SCHEMBL31417569 0.90 KDM4E (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417774 0.90 KDM4E (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417622 0.88 KDM4E (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417692 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417732 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDSOS1HSD17B10
SCHEMBL14126349 0.80 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417577 0.80 SOS1 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31417659 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL31417550 0.79 ACHE (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL23698351 0.76 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1KMT2A

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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