SCHEMBL7989112

SCHEMBL7989112

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
OGG1 O15527 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
TP53BP1 Q12888 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL7984974 0.89 L3MBTL1 (0.59) L3MBTL1FLT1FLT4KDRALDH1A1
SCHEMBL7987668 0.85 HDAC8 (0.58) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL30437232 0.84 HDAC1 (0.57) L3MBTL1ALDH1A1KDM4EPOLBGAA
SCHEMBL7983796 0.84 HDAC1 (0.57) L3MBTL1ALDH1A1KDM4EPOLBGAA
SCHEMBL7991794 0.84 FLT1 (0.57) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL7973227 0.83 HDAC3 (0.53) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL7973501 0.82 PTPN1 (0.53) L3MBTL1FLT1FLT4KDRALDH1A1
SCHEMBL7973370 0.81 TAS1R3 (0.58) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL3348416 0.81 FLT1 (0.60) L3MBTL1FLT1FLT4KDRALDH1A1
SCHEMBL7987790 0.80 KAT6A (0.57) L3MBTL1ALDH1A1POLBMAPTKMT2A

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