SCHEMBL28803067

SCHEMBL28803067

COc1ccc(NC(=O)Nc2nc(CCCn3cnc(C)c3)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 6/20 0.53
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TP53 P04637 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL28803096 0.85 ALDH1A1 (0.56) QPCTMEN1KMT2ATP53LMNA
SCHEMBL27412237 0.71 MAPT (0.52) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL28802971 0.70 TNIK (0.47) QPCTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3628902 0.70 QPCT (1.00) QPCTKMT2ALMNASMN1; SMN2MAPT
SCHEMBL28803213 0.70 QPCT (0.39) QPCT
SCHEMBL28803116 0.69 LMNA (0.53) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL28803200 0.68 SMN1; SMN2 (0.44) QPCTSMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL10464497 0.67 SMN1; SMN2 (0.61) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL27412228 0.66 MAPT (0.55) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL3630286 0.66 QPCT (1.00) QPCT

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-114805334-B QC and GSK-3 beta multi-targeting inhibitor and preparation method and application thereof 深圳大学 2023-06-09 — — CN disclosed
CN-114805334-A QC and GSK-3 beta multi-target inhibitor and preparation method and application thereof 深圳大学 2022-07-29 — — CN disclosed
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