SCHEMBL23368382

SCHEMBL23368382

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ FNTA P49354 3/20 0.43
▸ FNTB P49356 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 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 0.87 NPC1 (0.49) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL23368378 0.85 NPC1 (0.50) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL23368299 0.84 POLB (0.39) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL23368380 0.83 NPC1 (0.54) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL23368381 0.81 NPC1 (0.52) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL23368310 0.80 NPC1 (0.51) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL23368341 0.76 NPC1 (0.44) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL23368311 0.75 NPC1 (0.55) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL31602336 0.73 KMO (0.56) TSHRNPC1RAB9APOLBKMT2A
SCHEMBL8306505 0.71 OPRK1 (0.58) TSHRPOLBCYP3A4CYP2C19FNTA

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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