SCHEMBL23368381

SCHEMBL23368381

COC(=O)C(NC(=O)CNC(=O)Cn1ncc2ccccc21)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TSHR P16473 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HSD17B10 Q99714 4/20 0.44
▸ CNR2 P34972 1/20 0.42
▸ KMO O15229 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ NTRK1 P04629 1/20 0.38

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
SCHEMBL23368380 0.89 NPC1 (0.54) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23368378 0.85 NPC1 (0.50) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23368379 0.85 NPC1 (0.49) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23368310 0.84 NPC1 (0.51) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23368311 0.81 NPC1 (0.55) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23368382 0.81 TSHR (0.51) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23368299 0.78 POLB (0.39) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL31602336 0.77 KMO (0.56) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23368341 0.77 NPC1 (0.44) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL28258473 0.73 RAB9A (0.56) NPC1RAB9AKMT2AMEN1POLB

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-3411411-B1 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2021-05-19 — — EP disclosed
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