SCHEMBL3946799

SCHEMBL3946799

O=C(NSSNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.58
HDAC3 O15379 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
IDO1 P14902 1/20 0.58
HDAC1 Q13547 1/20 0.58
CA9 Q16790 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
GAA P10253 1/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
PTGS2 P35354 1/20 0.50
CYP1A2 P05177 1/20 0.48
CACNA1B Q00975 1/20 0.48

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
Biphenyl SCHEMBL7931070 0.93 NPC1 (0.61) ALOX15HDAC3CA12CA1IDO1
SCHEMBL28343144 0.85 ALOX15 (0.58) ALOX15HDAC3CA12CA1IDO1
SCHEMBL27515367 0.83 ALOX15 (0.56) ALOX15HDAC3CA12CA1IDO1
SCHEMBL7820075 0.81 HDAC3 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL20094759 0.81 CA12 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL9274738 0.79 ALOX15 (0.52) ALOX15HDAC3CA12CA1IDO1
Water SCHEMBL28201280 0.79 HDAC3 (0.52) ALOX15HDAC3CA12CA1IDO1
SCHEMBL27502838 0.79 NPC1 (0.53) ALOX15HDAC3CA12CA1IDO1
SCHEMBL11570198 0.78 HDAC3 (0.50) ALOX15HDAC3CA12CA1IDO1
SCHEMBL9915084 0.78 HDAC3 (0.50) ALOX15HDAC3CA12CA1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256274-A1 Golf ball core compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-17 US claimed
CN-102939082-A Metal entrapped bioactive composites YISSUM RES DEV CO 2013-02-20 CN disclosed
US-7544744-B2 Golf ball core compositions ACUSHNET COMPANY (US) 2009-06-09 US disclosed
US-20070255009-A1 Golf ball core compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2007-11-01 US disclosed
US-7226975-B2 Golf ball core compositions ACUSHNET COMPANY (US) 2007-06-05 US disclosed
US-7157514-B2 Golf ball core compositions ACUSHNET COMPANY (US) 2007-01-02 US disclosed
US-20050256274-A1 Golf ball core compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-17 US disclosed
US-20050256237-A1 Golf ball core compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-17 US disclosed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN disclosed