SCHEMBL22585577

SCHEMBL22585577

CCOC(=O)NC(=S)Nc1ncc(Br)cc1C(=O)N[C@@H](C)COC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HPGD P15428 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL30248383 1.00 MAPT (0.41) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL22585510 0.91 MAPT (0.43) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL30248509 0.91 MAPT (0.43) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL22585498 0.91 MAPT (0.43) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL30248563 0.90 MAPT (0.42) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL22585735 0.90 MAPT (0.42) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL29114895 0.90 MAPT (0.42) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL30679687 0.90 MAPT (0.45) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL26857507 0.90 MAPT (0.45) MAPTLMNAPKMSMN1; SMN2NPC1
SCHEMBL22585489 0.89 MAPT (0.41) MAPTLMNAPKMSMN1; SMN2NPC1

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
WO-2020215094-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A] PYRIDINE DERIVATIVES AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2020-10-22 — — WO disclosed
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