SCHEMBL9306352

SCHEMBL9306352

O=C(O)CC(C(O)=S)c1nc2c(NCc3ccccc3)cccc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
CD38 P28907 1/20 0.36
HDAC6 Q9UBN7 4/20 0.35
HDAC1 Q13547 2/20 0.35
RPS6KB1 P23443 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL9306338 0.91 HSD17B10 (0.36) HSD17B10HPGDHTTMEN1USP2
SCHEMBL9306332 0.84 HSD17B10 (0.38) HSD17B10HPGDHTTMEN1USP2
SCHEMBL9305342 0.78 TOP2A (0.39)
SCHEMBL9306240 0.78 DAGLA (0.42) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL9443111 0.76 GAA (0.36) HSD17B10HPGDGAAMAPTMEN1
SCHEMBL8973089 0.76 IKBKE (0.35)
SCHEMBL8972338 0.76 HDAC3 (0.46) HPGDGAAMAPTMEN1KMT2A
SCHEMBL9306346 0.75 CYP1A2 (0.36) HSD17B10HPGDHTTGAAMAPT
SCHEMBL9304112 0.75 CTSA (0.33) MAPTKMT2AHDAC6HDAC1HDAC3
SCHEMBL9733965 0.75 CTSA (0.33) HSD17B10HPGDMEN1KMT2AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed