SCHEMBL8084102

SCHEMBL8084102

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 9/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 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
SCHEMBL8084097 0.88 HTR2C (0.48) HTR2CHTR2BKMT2AMEN1ALDH1A1
SCHEMBL8088268 0.83 HSD17B10 (0.50) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8084741 0.81 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8084739 0.81 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8076789 0.81 PDK1 (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8088227 0.79 DNMT1 (0.44) HTR2CHTR2BKMT2AMEN1ALDH1A1
SCHEMBL8084757 0.79 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8076747 0.78 CYP1A2 (0.55) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8084836 0.77 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8084792 0.76 NPSR1 (0.44) KMT2AMEN1ALDH1A1MAPTHPGD

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