SCHEMBL8084739

SCHEMBL8084739

CC(C)(C)c1ccc(C(=O)CSc2ccnc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HPGD P15428 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.50
MPI P34949 1/20 0.50
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
PABPC1 P11940 1/20 0.49
EIF4H Q15056 1/20 0.49
CYP2C19 P33261 2/20 0.45

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
SCHEMBL8089846 0.92 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL8088268 0.85 HSD17B10 (0.50) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL8084741 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL8084097 0.83 HTR2C (0.48) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL8088227 0.83 DNMT1 (0.44) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL8084102 0.81 HTR2C (0.53) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL8084757 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL8084606 0.80 MAPT (0.45) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL8076747 0.80 CYP1A2 (0.55) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL8084836 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHTTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed