SCHEMBL5819155

SCHEMBL5819155

Cc1cc2nnc(SC[C]=O)n2c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ ALDH1A1 P00352 7/20 0.63
▸ HPGD P15428 1/20 0.61
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ MAPT P10636 3/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ RXFP1 Q9HBX9 4/20 0.57
▸ DAPK3 O43293 1/20 0.56
▸ ROCK2 O75116 1/20 0.56
▸ PIM1 P11309 1/20 0.56
▸ RPS6KB1 P23443 1/20 0.56
▸ RPS6KA3 P51812 1/20 0.56
▸ CSNK2A1 P68400 1/20 0.56
▸ DYRK1A Q13627 1/20 0.56
▸ PIM3 Q86V86 1/20 0.56

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
SCHEMBL11779422 0.73 KDM4E (0.61) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL11775977 0.71 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL11776024 0.70 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL11773777 0.70 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL10577616 0.70 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL11775838 0.70 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL5814566 0.68 RECQL (0.62) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL10574725 0.67 MAPT (0.49) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL5818702 0.66 RAB9A (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL10840481 0.65 KDM4E (0.52) KDM4EMEN1KMT2AALDH1A1HPGD

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
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