SCHEMBL8940654

SCHEMBL8940654

O=C1CC2OC(CSCc3ccccc3)CN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ AR P10275 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL8940443 0.75 GRM2 (0.35) CRBNGRM2ALDH1A1SMN1; SMN2LMNA
SCHEMBL7766815 0.73 CRBN (0.43) CRBNL3MBTL1NPC1MAPTRAB9A
SCHEMBL19744406 0.71 CRBN (0.46) CRBNL3MBTL1NPC1MAPTRAB9A
SCHEMBL19744326 0.71 CRBN (0.46) CRBNL3MBTL1NPC1MAPTRAB9A
SCHEMBL10865471 0.69 CRBN (0.44) CRBNL3MBTL1NPC1MAPTRAB9A
SCHEMBL7767198 0.66 CRBN (0.49) CRBNL3MBTL1NPC1MAPTRAB9A
SCHEMBL7764873 0.64 CYP2C19 (0.41) CRBNGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL18541672 0.63 MEN1 (0.48) CRBNNPC1MAPTRAB9AATM
SCHEMBL7766827 0.62 CYP2C19 (0.39) CRBNGAAGRM2ALDH1A1SMN1; SMN2
SCHEMBL7765809 0.62 EHMT2 (0.42) CRBNL3MBTL1NPC1MAPTRAB9A

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
US-5561126-A OXAPENAMS HAVING CHEMICAL STABILITY; ANTICARCINOGENIC AGENTS; LEUKEMIA TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-10-01 — — US disclosed
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