SCHEMBL10828444

SCHEMBL10828444

CCCCn1c(CSC#N)nc2ccc(S(C)(=O)=O)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PARG Q86W56 1/20 0.35
▸ PDE4A P27815 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
SCHEMBL10827126 0.92 TSHR (0.41) TSHRPTK2BTDP1ALDH1A1KDM4E
SCHEMBL10827670 0.85 PARG (0.44) TSHRTDP1KDM4EPOLBL3MBTL1
SCHEMBL10827671 0.84 DPP4 (0.43) TSHRPTK2BTDP1ALDH1A1GAA
SCHEMBL10827322 0.82 RORA (0.45) TSHRPTK2BTDP1ALDH1A1KDM4E
SCHEMBL10827391 0.79 ALDH1A1 (0.43) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL10828440 0.78 NPSR1 (0.45) TSHRPTK2BTDP1ALDH1A1KDM4E
SCHEMBL10828363 0.76 TDP1 (0.36) TSHRTDP1KDM4EPOLBL3MBTL1
SCHEMBL10827144 0.76 ALDH1A1 (0.42) TSHRALDH1A1GAAMAPTMEN1
SCHEMBL10827676 0.76 RORA (0.45) TSHRPTK2BTDP1ALDH1A1KDM4E
SCHEMBL10827387 0.72 ALDH1A1 (0.44) TSHRALDH1A1KDM4EMAPTMEN1

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-4605657-A 4-quinazalone fungicides CHEVRON RESEARCH COMPANY (US) 1986-08-12 — — US disclosed
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