SCHEMBL5868064

SCHEMBL5868064

C=CCSc1ncc(Cc2cccs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ADRA1D P25100 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL5726650 0.79 TP53 (0.48) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL25185325 0.72 ADRA1D (0.45) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL24769737 0.68 ADRA1D (0.51) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL9592410 0.67 L3MBTL1 (1.00) L3MBTL1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1286422 0.67 — —
SCHEMBL692444 0.66 L3MBTL1 (0.58) L3MBTL1KDM4EMEN1KMT2AGAA
SCHEMBL27819223 0.66 CHRNB2 (0.44) L3MBTL1KDM4ELMNAGAAALDH1A1
SCHEMBL10973292 0.66 L3MBTL1 (0.58) L3MBTL1KDM4EMEN1KMT2AGAA
SCHEMBL11084732 0.66 L3MBTL1 (0.58) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL1408606 0.65 ALDH1A1 (0.41) L3MBTL1MEN1KMT2ALMNACYP2C19

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
US-7138404-B2 4-aminopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-21 — — US disclosed
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