SCHEMBL9568841

SCHEMBL9568841

O=C(Cn1nnnc1-c1cccs1)OCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 2/20 0.41
MIF P14174 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL8790045 0.80 KMT2A (0.63) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL9568925 0.80 ALDH1A1 (0.54) KMT2AHDAC6MAPK1ALDH1A1HPGD
SCHEMBL9557277 0.78 MAPK1 (0.41) KMT2AMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL10401793 0.77 KMT2A (0.62) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL9568735 0.76 MAPK1 (0.40) KMT2AMAPK1ALDH1A1HPGDTSHR
SCHEMBL9568919 0.75 ALDH1A1 (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL9568853 0.75 ALDH1A1 (0.65) KMT2AMAPK1ALDH1A1HPGDHSD17B10
SCHEMBL9568725 0.74 POLB (0.40) KMT2ACYP3A4MAPK1ALDH1A1L3MBTL1
SCHEMBL9568758 0.74 ALDH1A1 (0.41) KMT2AMAPK1ALDH1A1HPGDTSHR
SCHEMBL9568858 0.74 ALDH1A1 (0.39) KMT2AALDH1A1NPC1RAB9ANPSR1

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-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed