SCHEMBL23368378

SCHEMBL23368378

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 3/20 0.48
▸ TAS1R3 Q7RTX0 6/20 0.45
▸ TAS1R1 Q7RTX1 6/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NTSR1 P30989 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KMO O15229 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ FAP Q12884 1/20 0.41

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
SCHEMBL23368379 0.90 NPC1 (0.49) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23368380 0.87 NPC1 (0.54) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23368381 0.85 NPC1 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23368382 0.85 TSHR (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23368310 0.82 NPC1 (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23368299 0.81 POLB (0.39) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23368341 0.81 NPC1 (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23368311 0.80 NPC1 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL31602336 0.75 KMO (0.56) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL17269342 0.71 NPC1 (0.51) NPC1RAB9AMEN1KMT2APOLB

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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