SCHEMBL19554129

SCHEMBL19554129

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2cc(C(F)(F)F)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.66
KCNK2 O95069 2/20 0.64
KCNK10 P57789 2/20 0.64
PPARG P37231 1/20 0.60
PPARD Q03181 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
AKR1C4 P17516 1/20 0.57
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
MPO P05164 1/20 0.54

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
SCHEMBL19554134 0.87 SERPINE1 (0.68) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL19554229 0.84 SERPINE1 (0.61) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL418647 0.84 SERPINE1 (0.66) SERPINE1KCNK2KCNK10PPARGPPARD
SCHEMBL19554148 0.81 DHODH (0.70) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL1308660 0.81 TMPRSS4 (0.64) SERPINE1KCNK2KCNK10PPARGPPARD
SCHEMBL19554329 0.80 MAPT (0.59) KCNK2KCNK10AKR1C4AKR1C3AKR1C2
SCHEMBL420142 0.80 SERPINE1 (1.00) SERPINE1KCNK2KCNK10PPARGNR1H4
SCHEMBL19575451 0.78 KMT2A (0.76) RAB9A
SCHEMBL6349535 0.78 SERPINE1 (0.74) SERPINE1KCNK2KCNK10AKR1C4AKR1C3
SCHEMBL6358123 0.78 SERPINE1 (0.89) SERPINE1KCNK2KCNK10AKR1C4AKR1C3

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