SCHEMBL19554236

SCHEMBL19554236

C[S+]([O-])c1cc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(C(=O)O)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 8/20 0.46
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PRSS12 P56730 1/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 1/20 0.41
GRIK1 P39086 1/20 0.40
KCNK2 O95069 2/20 0.39
KCNK10 P57789 2/20 0.39
DHODH Q02127 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL19554190 0.84 KMT2A (0.49) SERPINE1MEN1PKMKMT2ANPSR1
SCHEMBL19554136 0.84 MEN1 (0.48) SERPINE1MEN1PKMKMT2ANPSR1
SCHEMBL19554218 0.82 MEN1 (0.47) SERPINE1MEN1PKMKMT2ANPSR1
SCHEMBL19554266 0.82 KMT2A (0.55) SERPINE1MEN1PKMKMT2ANPSR1
SCHEMBL19554231 0.82 KMT2A (0.50) SERPINE1MEN1PKMKMT2ANPSR1
SCHEMBL19570245 0.79 NPC1 (0.49) SERPINE1MEN1PKMKMT2ANPSR1
SCHEMBL19554188 0.79 F11 (0.47) SERPINE1MEN1PKMKMT2ANPSR1
SCHEMBL19554253 0.77 F11 (0.46) SERPINE1MEN1PKMKMT2ANPSR1
SCHEMBL19554161 0.76 CA2 (0.56) SERPINE1MEN1KMT2AAKR1C4AKR1C3
SCHEMBL19554134 0.75 SERPINE1 (0.68) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1

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