SCHEMBL31556105

SCHEMBL31556105

COc1ccc(C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)c4ccc(OC)cc4)cc3S(=O)(=O)Nc3ccc(C(=O)O)cc3)c(S(=O)(=O)Nc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.69
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ LMNA P02545 6/20 0.62
▸ HPGD P15428 3/20 0.62
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ HTT P42858 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ CCR8 P51685 1/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ TP53 P04637 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ KCNK9 Q9NPC2 1/20 0.50
▸ PTGER4 P35408 1/20 0.50
▸ STAT3 P40763 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ IDH1 O75874 1/20 0.48

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
SCHEMBL31556104 1.00 RAD51 (0.69) RAD51SMN1; SMN2LMNAHPGDMEN1
SCHEMBL31389369 0.82 RAD51 (1.00) RAD51SMN1; SMN2LMNAHPGDMEN1
SCHEMBL18177309 0.80 PTGER4 (0.77) SMN1; SMN2LMNAHPGDMEN1KMT2A
SCHEMBL11729306 0.77 RAB9A (0.86) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL13532193 0.76 MEN1 (0.74) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL22003616 0.75 RAD51 (0.67) RAD51SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8227909 0.74 GFER (0.72) LMNAALDH1A1
SCHEMBL665556 0.74 GFER (0.72) LMNAALDH1A1
SCHEMBL27179735 0.73 MEN1 (0.71) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL30926417 0.73 MAPT (0.72) SMN1; SMN2LMNAMEN1KMT2AMAPT

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
CN-119837888-A Application of polyphenol compound in preparation of African swine fever virus inhibitor 中国医学科学院医药生物技术研究所 2025-04-18 — — CN disclosed
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