SCHEMBL23368299

SCHEMBL23368299

COC(=O)C(CCSC)NC(=O)CNC(=O)Cn1ncc2cc(COC(=O)C(CC(C)C)NC(=O)CNC(=O)Cn3ncc4cc(COC(=O)C(NC(=O)CNC(=O)Cn5ncc6ccccc65)C(C)C)ccc43)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ FNTA P49354 3/20 0.34
▸ FNTB P49356 3/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL23368382 0.84 TSHR (0.51) POLBTSHRNPC1RAB9AMEN1
SCHEMBL23368378 0.81 NPC1 (0.50) POLBTSHRNPC1RAB9AMEN1
SCHEMBL23368341 0.79 NPC1 (0.44) POLBTSHRNPC1RAB9AMEN1
SCHEMBL23368381 0.78 NPC1 (0.52) POLBTSHRNPC1RAB9AMEN1
SCHEMBL23368379 0.73 NPC1 (0.49) POLBTSHRNPC1RAB9AMEN1
SCHEMBL23368380 0.71 NPC1 (0.54) POLBTSHRNPC1RAB9AMEN1
SCHEMBL23368310 0.67 NPC1 (0.51) POLBTSHRNPC1RAB9AMEN1
SCHEMBL23368311 0.65 NPC1 (0.55) POLBTSHRNPC1RAB9AMEN1
SCHEMBL8306505 0.62 OPRK1 (0.58) POLBTSHRFNTAFNTBTAS1R3
SCHEMBL11658563 0.62 CTSK (0.58) CTSBCTSK

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
EP-3411411-B3 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) 2022-01-26 — — EP disclosed
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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