SCHEMBL7987668

SCHEMBL7987668

CCCS(=O)(=O)NC(=O)c1cccc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KAT6A Q92794 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7984819 0.89 HDAC8 (0.64) HDAC8HDAC6TAS1R3TAS1R1SMN1; SMN2
SCHEMBL7989112 0.85 L3MBTL1 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7991794 0.84 FLT1 (0.57) SMN1; SMN2MEN1KMT2AKCNK3KCNK9
SCHEMBL30437232 0.84 HDAC1 (0.57) HDAC6SMN1; SMN2MEN1KMT2AKCNK3
SCHEMBL7983796 0.84 HDAC1 (0.57) HDAC6SMN1; SMN2MEN1KMT2AKCNK3
SCHEMBL7973501 0.82 PTPN1 (0.53) HDAC8HDAC6MEN1KMT2AALDH1A1
SCHEMBL7973370 0.81 TAS1R3 (0.58) TAS1R3TAS1R1SMN1; SMN2MEN1KMT2A
SCHEMBL7984813 0.81 HDAC1 (0.53) HDAC6SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7987790 0.80 KAT6A (0.57) SMN1; SMN2KMT2AALDH1A1MAPTKAT6A
SCHEMBL280256 0.79 HDAC8 (0.68) HDAC8HDAC6SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed