SCHEMBL10827062

SCHEMBL10827062

N#CSCc1nc2cc(C(F)(F)F)ccc2c(=O)n1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ CTSK P43235 1/20 0.41
▸ ATM Q13315 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PLA2G1B P04054 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL10828432 0.92 ALDH1A1 (0.43) CTSDALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL10827660 0.85 TSHR (0.52) ALDH1A1L3MBTL1ALOX15TSHRHTT
SCHEMBL10827674 0.80 PDE10A (0.41) CTSDALDH1A1L3MBTL1HTTCTSK
SCHEMBL10827666 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1ALOX15TSHRHTT
SCHEMBL10827393 0.78 LMNA (0.49) CTSDALDH1A1HTTCTSKMEN1
SCHEMBL10827144 0.75 ALDH1A1 (0.42) ALDH1A1L3MBTL1ALOX15TSHRHTT
SCHEMBL10827676 0.75 RORA (0.45) ALDH1A1TSHRCTSKGAAMAPT
SCHEMBL10827107 0.71 DDR1 (0.38) ALDH1A1HTTCTSKMEN1KMT2A
SCHEMBL10827110 0.71 KLK7 (0.48) ALDH1A1HTTCTSKMEN1KMT2A
SCHEMBL10827322 0.67 RORA (0.45) ALDH1A1TSHRCTSKGAAMAPT

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
Send feedback