SCHEMBL19554201

SCHEMBL19554201

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.59
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA7 P43166 1/20 0.52
KCNK2 O95069 2/20 0.51
KCNK10 P57789 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
IGF2BP2 Q9Y6M1 1/20 0.50

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
SCHEMBL19554280 0.88 IGF2BP2 (0.58) SERPINE1CA2CA9CA1KCNK2
SCHEMBL19554134 0.86 SERPINE1 (0.68) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554152 0.84 MEN1 (0.47) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554253 0.81 F11 (0.46) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554229 0.81 SERPINE1 (0.61) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554300 0.79 MAPT (0.56) AKR1C4AKR1C3AKR1C2AKR1C1SMN1; SMN2
SCHEMBL19554148 0.78 DHODH (0.70) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554129 0.78 SERPINE1 (0.66) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19554161 0.78 CA2 (0.56) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19575760 0.78 SMN1; SMN2 (0.47) SERPINE1GAASMN1; SMN2MEN1PKM

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