SCHEMBL19554266

SCHEMBL19554266

COc1cc(NC(=O)c2ccc3cc(Cl)ccc3c2)c(C(=O)O)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PKM P14618 1/20 0.55
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 4/20 0.46
SERPINE1 P05121 2/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR1 P21453 1/20 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
SCHEMBL19554333 0.89 AKR1C4 (0.56) KMT2AMEN1NPSR1AKR1C4AKR1C3
SCHEMBL19554188 0.89 F11 (0.47) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19570245 0.89 NPC1 (0.49) KMT2AMEN1NPSR1PKMAKR1C2
SCHEMBL19554219 0.88 AKR1C4 (0.48) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19554253 0.87 F11 (0.46) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19554190 0.86 KMT2A (0.49) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19554136 0.86 MEN1 (0.48) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19554283 0.86 KDM4E (0.60) KMT2AMEN1NPSR1PKMAKR1C4
SCHEMBL19554186 0.85 MAPT (0.48) KMT2AAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554246 0.84 PDE4B (0.44) KMT2AMEN1NPSR1PKMNPC1

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