SCHEMBL19554348

SCHEMBL19554348

CCc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.48
LTC4S Q16873 1/20 0.45
PLK1 P53350 8/20 0.45
PLK3 Q9H4B4 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
DHODH Q02127 1/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PLAU P00749 3/20 0.44
F2 P00734 2/20 0.44
PLG P00747 2/20 0.44
KLKB1 P03952 2/20 0.44
PRSS1 P07477 2/20 0.44
PLAT P00750 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 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
SCHEMBL6352338 0.85 KMT2A (0.57) ALBNR1H4DHODHPLAUF2
SCHEMBL19554146 0.83 DHODH (0.66) ALBDHODHAKR1C2AKR1C1PLAU
SCHEMBL19554335 0.83 ALB (0.51) ALBDHODHPLAUF2PLG
SCHEMBL19554161 0.83 CA2 (0.56) ALBAKR1C2AKR1C1MEN1KMT2A
SCHEMBL6359036 0.81 MEN1 (0.66) ALBPLK1PLK3AKR1C2AKR1C1
SCHEMBL6359401 0.80 ALB (0.63) ALBLTC4SPLAUF2PLG
SCHEMBL6919844 0.80 PLK1 (0.71) PLK1PLK3
SCHEMBL19554170 0.79 F2 (0.47) LTC4SPLK1PLK3NR1H4DHODH
SCHEMBL19554175 0.79 F2 (0.47) LTC4SPLK1PLK3NR1H4DHODH
SCHEMBL6355568 0.79 PLK1 (0.63) ALBPLK1PLK3NR1H4AKR1C2

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