SCHEMBL10828432

SCHEMBL10828432

N#CSCc1nc2ccc(C(F)(F)F)cc2c(=O)n1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ CTSK P43235 2/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CTSD P07339 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CCRL2 O00421 2/20 0.36
▸ CTSS P25774 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL10827062 0.92 CTSD (0.45) ALDH1A1CTSKMEN1KMT2AATM
SCHEMBL10827666 0.85 ALDH1A1 (0.45) ALDH1A1CTSKMEN1KMT2AATM
SCHEMBL10827144 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL10827107 0.80 DDR1 (0.38) ALDH1A1CTSKMEN1KMT2AHTT
SCHEMBL10827110 0.79 KLK7 (0.48) ALDH1A1CTSKMEN1KMT2AMAPT
SCHEMBL10827660 0.78 TSHR (0.52) ALDH1A1CTSKMEN1KMT2AATM
SCHEMBL10827322 0.75 RORA (0.45) ALDH1A1CTSKGAAMAPTTSHR
SCHEMBL10827393 0.72 LMNA (0.49) ALDH1A1CTSKMEN1KMT2AMAPT
SCHEMBL10827674 0.71 PDE10A (0.41) ALDH1A1CTSKMEN1KMT2AL3MBTL1
SCHEMBL21277661 0.69 CRHBP (0.47) ALDH1A1MEN1KMT2AATML3MBTL1

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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