SCHEMBL18801404

SCHEMBL18801404

COc1c(-c2cocn2)ccc(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IMPDH2 P12268 4/20 0.35
IMPDH1 P20839 1/20 0.35
SLC37A4 O43826 1/20 0.35
LMNA P02545 1/20 0.34
PABPC1 P11940 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 4/20 0.33
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL18801448 0.92 L3MBTL1 (0.39) KMT2ALTB4RLTB4R2SMN1; SMN2NPC1
SCHEMBL1649341 0.81 METAP2 (0.47) KMT2ASMN1; SMN2NPC1RAB9ASLC37A4
SCHEMBL18801059 0.81 KMT2A (0.42) KMT2ASMN1; SMN2NPC1RAB9ASLC37A4
SCHEMBL1649941 0.80 LTB4R (0.36) KMT2ALTB4RLTB4R2SMN1; SMN2NPC1
SCHEMBL18801293 0.77 KMT2A (0.45) KMT2ASMN1; SMN2NPC1RAB9ASLC37A4
SCHEMBL18801417 0.76 KMT2A (0.44) KMT2ASMN1; SMN2NPC1RAB9ASLC37A4
SCHEMBL18801055 0.76 SLC37A4 (0.38) KMT2ASMN1; SMN2NPC1RAB9ASLC37A4
SCHEMBL18801282 0.75 KMT2A (0.43) KMT2ASMN1; SMN2NPC1RAB9ASLC37A4
SCHEMBL18801149 0.75 L3MBTL1 (0.39) KMT2ASMN1; SMN2NPC1RAB9AIMPDH2
SCHEMBL18801286 0.74 SLC37A4 (0.37) KMT2ASMN1; SMN2NPC1RAB9ASLC37A4

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed