SCHEMBL24072300

SCHEMBL24072300

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 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
SCHEMBL24074074 0.93 RAB9A (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL24072438 0.86 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL25063314 0.83 STAT3 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL24074042 0.82 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL24072388 0.82 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL24074055 0.81 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL24072238 0.81 LMNA (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL24074070 0.81 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL13044208 0.78 ALDH1A1 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL24074052 0.77 MEN1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1TP53

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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