SCHEMBL24494887

SCHEMBL24494887

CCc1nc(SC)ncc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL18982349 0.84 THRB (0.36) THRBPOLBMAPTMEN1KMT2A
SCHEMBL27755208 0.79 POLB (0.42) THRBPOLBMAPTMEN1KMT2A
SCHEMBL25532332 0.76 MEN1 (0.33) THRBMEN1KMT2A
SCHEMBL10518577 0.76 TSHR (0.39) THRBPOLBMAPTMEN1KMT2A
SCHEMBL12858177 0.76 NUDT1 (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31591033 0.76 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL12051523 0.76 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8394533 0.75 POLB (0.42) THRBPOLBMAPTMEN1KMT2A
SCHEMBL10649686 0.75 NR1H2 (0.38) THRBPOLBMAPTMEN1KMT2A
SCHEMBL13165162 0.74 NUDT1 (0.35) MEN1KMT2ANUDT1L3MBTL1

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-2022120207-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-06-09 — — WO disclosed
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