SCHEMBL19554239

SCHEMBL19554239

COc1cc(NC(=O)c2ccc3c(c2)CCCC3)c(C(=O)O)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
DHODH Q02127 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
NPC1 O15118 1/20 0.47

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 0.81 AKR1C4 (0.56) MAPTKDM4EKMT2AMEN1AKR1C4
SCHEMBL19554219 0.79 AKR1C4 (0.48) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL19554266 0.79 KMT2A (0.55) MAPTKDM4EKMT2AMEN1AKR1C4
SCHEMBL19554216 0.77 AKR1C4 (0.46) MAPTKDM4EKMT2AMEN1AKR1C4
SCHEMBL19554186 0.77 MAPT (0.48) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL420923 0.72 SERPINE1 (0.61) AKR1C4AKR1C3AKR1C2AKR1C1CA12
SCHEMBL21499320 0.70 DHODH (0.77) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL7802430 0.69 ROCK2 (0.58) MAPTCYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL6349877 0.69 CHEK1 (0.66) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL19554171 0.69 PDE5A (0.48) KMT2AMEN1AKR1C4AKR1C3AKR1C2

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