SCHEMBL21376822

SCHEMBL21376822

COc1ccc(N(C)[S+]([O-])c2ccc(C(=O)Nc3nc4ccc(C)cc4s3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 15/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ MAP3K5 Q99683 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51

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
SCHEMBL21910771 0.94 SCD (0.72) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL2483241 0.86 SCD (0.84) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL662502 0.83 KDM4E (0.67) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL21376791 0.82 SCD (0.64) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL21910767 0.80 SCD (0.58) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL12199492 0.80 SCD (0.73) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL4913650 0.79 SCD (0.88) SCDMEN1NPC1RAB9AKMT2A
Bromide SCHEMBL2485614 0.79 SCD (0.72) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL13490124 0.79 SCD (0.82) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL31243 0.78 SCD (1.00) SCDMEN1NPC1RAB9AKMT2A

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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 — — EP disclosed
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