SCHEMBL7991794

SCHEMBL7991794

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.57
FLT4 P35916 2/20 0.57
KDR P35968 2/20 0.57
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 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
SCHEMBL7983817 0.89 FLT1 (0.61) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL7987668 0.84 HDAC8 (0.58) ALDH1A1MAPTCA1CA2CYP2C19
SCHEMBL7989112 0.84 L3MBTL1 (0.59) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL30437232 0.82 HDAC1 (0.57) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL7983796 0.82 HDAC1 (0.57) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL7973491 0.81 FLT1 (0.56) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL7973501 0.81 PTPN1 (0.53) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL7973370 0.80 TAS1R3 (0.58) ALDH1A1MAPTSMN1; SMN2TP53MEN1
SCHEMBL7987664 0.80 FLT1 (0.65) FLT1FLT4KDRALDH1A1PKM
SCHEMBL7987790 0.79 KAT6A (0.57) ALDH1A1MAPTHPGDSMN1; SMN2TP53

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