SCHEMBL24072438

SCHEMBL24072438

CCCNC(=O)c1ccc(C(=O)Nc2ncc(NC)s2)c(OC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MLNR O43193 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 1/20 0.43

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
SCHEMBL24072300 0.86 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24072437 0.85 MAPK14 (0.44) ALDH1A1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL25063314 0.84 STAT3 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24074074 0.78 RAB9A (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25063117 0.77 STAT3 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21579699 0.72 TOP1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL24072758 0.72 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24072436 0.71 POLQ (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23348163 0.70 NPC1 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL24074435 0.70 STAT3 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 — — WO disclosed
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