SCHEMBL13205878

SCHEMBL13205878

CCCCOc1ccc(-n2ccnc2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DHODH Q02127 1/20 0.42
PTPN11 Q06124 3/20 0.42
ACLY P53396 3/20 0.41
WNT3A P56704 1/20 0.41
TP53 P04637 1/20 0.41
PTPN1 P18031 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13205877 0.95 PORCN (0.48) PORCNCYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL12121495 0.85 PTPN11 (0.51) PTPN11ACLYTP53PTPN1AKR1C3
SCHEMBL12121601 0.82 LRRK2 (0.51) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13206252 0.82 PTPN11 (0.53) PTPN11ACLYTP53PTPN1AKR1C3
SCHEMBL12117692 0.82 DHODH (0.49) PORCNCYP3A4CYP2D6DHODHPTPN11
SCHEMBL13206260 0.82 LRRK2 (0.47) DHODHPTPN11ACLYTP53PTPN1
SCHEMBL13206263 0.81 LRRK2 (0.49) CYP3A4PTPN11ACLYTP53TSHR
Hydrochloric Acid SCHEMBL1316243 0.81 DHODH (0.48) PORCNCYP3A4CYP2D6DHODHPTPN11
SCHEMBL2572179 0.81 DHODH (0.50) PORCNCYP3A4CYP2D6DHODHPTPN11
SCHEMBL12121536 0.81 PTPN11 (0.50) PTPN11ACLYTP53PTPN1AKR1C3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010087430-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2010-08-05 WO disclosed