SCHEMBL19554190

SCHEMBL19554190

Cc1cc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(C(=O)O)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SERPINE1 P05121 6/20 0.47
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
S1PR3 Q99500 1/20 0.45
GRIK1 P39086 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PRSS12 P56730 1/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL19554136 0.89 MEN1 (0.48) KMT2AMEN1PKMNPSR1SERPINE1
SCHEMBL19554185 0.87 RAB9A (0.44) KMT2AMEN1PKMGRIK1RAB9A
SCHEMBL19554266 0.86 KMT2A (0.55) KMT2AMEN1PKMNPSR1SERPINE1
SCHEMBL19554218 0.86 MEN1 (0.47) KMT2AMEN1PKMNPSR1SERPINE1
SCHEMBL19554231 0.86 KMT2A (0.50) KMT2AMEN1PKMNPSR1SERPINE1
SCHEMBL19554236 0.84 SERPINE1 (0.46) KMT2AMEN1PKMNPSR1SERPINE1
SCHEMBL19570245 0.83 NPC1 (0.49) KMT2AMEN1PKMNPSR1SERPINE1
SCHEMBL19554188 0.83 F11 (0.47) KMT2AMEN1PKMNPSR1SERPINE1
SCHEMBL19554253 0.81 F11 (0.46) KMT2AMEN1PKMNPSR1SERPINE1
SCHEMBL19554161 0.81 CA2 (0.56) KMT2AMEN1SERPINE1AKR1C4AKR1C3

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