SCHEMBL19554289

SCHEMBL19554289

O=C(Nc1cc(F)c(Cl)cc1C(=O)O)c1ccc2sccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PRSS12 P56730 6/20 0.43
ACLY P53396 1/20 0.42
STING1 Q86WV6 1/20 0.42
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
F10 P00742 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
GRIK1 P39086 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL19554217 0.82 SERPINE1 (0.58) KCNK2KCNK10
SCHEMBL19554172 0.81 DHODH (0.52) PRSS12ACLYF10MEN1KMT2A
SCHEMBL19554330 0.81 KCNK2 (0.46) HDAC1PRSS12ACLYSTING1KCNK2
SCHEMBL19554350 0.76 F2 (0.44) PRSS12ACLYSTING1MEN1KMT2A
SCHEMBL19554240 0.76 STING1 (0.50) HDAC1PRSS12ACLYSTING1KCNK2
SCHEMBL2273546 0.76 ACLY (0.58) NAMPTHDAC1HDAC8HDAC6PRSS12
SCHEMBL2271954 0.73 CTNNB1 (0.47) NAMPTPRSS12ACLYMEN1KMT2A
SCHEMBL2271921 0.73 MEN1 (0.55) NAMPTHDAC1HDAC8HDAC6PRSS12
SCHEMBL19554265 0.73 SERPINE1 (0.58) KCNK2KCNK10
SCHEMBL13201004 0.71 NAMPT (0.71) NAMPTHDAC1HDAC8HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed