SCHEMBL13665080

SCHEMBL13665080

Cc1ccc(NC(=O)c2oc3ccc(C(=O)O)cc3c2NC(=O)[C@H]2CC[C@H](C(=O)N(C)C)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ MEN1 O00255 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL13665082 0.93 NPC1 (0.46) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL13665078 0.92 NPC1 (0.49) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL13863934 0.92 NPC1 (0.46) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL4331028 0.91 SMN1; SMN2 (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4331029 0.91 SMN1; SMN2 (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL13665084 0.89 NPC1 (0.42) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL13665087 0.88 NPC1 (0.42) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL13665049 0.88 NPC1 (0.44) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL13665085 0.88 ABL1 (0.46) NPC1RAB9AKMT2ACASP3SENP7
SCHEMBL13665086 0.87 NPC1 (0.44) NPC1RAB9AKMT2ACASP3SENP7

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
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
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