SCHEMBL30278750

SCHEMBL30278750

O=C(O)c1ccc(-n2nnnc2SC2(C(=O)NCc3cccc(N4CCOCC4)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HPGD P15428 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ LMNA P02545 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ KMO O15229 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ ALKBH1 Q13686 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL21952085 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL24209689 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21952039 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL30278757 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL21952006 0.83 HPGD (0.47) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL30278755 0.83 HPGD (0.47) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL28929896 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL22010404 0.74 KMO (0.41) ALDH1A1MEN1KMT2AKMOKDM1A
SCHEMBL29798314 0.71 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL21952043 0.71 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768422-B Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2025-03-04 — — CN disclosed
CN-115768422-A Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2023-03-07 — — CN disclosed
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