SCHEMBL19554173

SCHEMBL19554173

O=C(Nc1cc(C(F)(F)F)c(Cl)cc1C(=O)O)c1ccc2cc(F)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 4/20 0.48
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNK10 P57789 3/20 0.43
DHODH Q02127 1/20 0.43
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SERPINE1 P05121 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ACLY P53396 1/20 0.40
PYGL P06737 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 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
SCHEMBL19554330 0.86 KCNK2 (0.46) KCNK2KCNK10DHODHKMT2AHDAC1
SCHEMBL19554240 0.83 STING1 (0.50) KCNK2RAB9ADHODHKMT2ANPC1
SCHEMBL19554292 0.83 PYGL (0.47) KCNK2RAB9AKMT2ANPC1PYGL
SCHEMBL19554206 0.82 SLC16A3 (0.43) KCNK2DHODHKMT2AACLYPYGL
SCHEMBL19554338 0.82 SLC16A3 (0.43) KCNK2RAB9ADHODHKMT2ANPC1
SCHEMBL19554226 0.81 KCNK2 (0.42) KCNK2DHODHKMT2ASERPINE1ACLY
SCHEMBL19554225 0.81 SERPINE1 (0.43) KCNK2DHODHKMT2ASERPINE1ACLY
SCHEMBL19554278 0.81 STING1 (0.43) KCNK2DHODHKMT2ASERPINE1ACLY
SCHEMBL19554093 0.81 SMN1; SMN2 (0.62) RAB9ACYP1A2CYP2C19KMT2ANPC1
SCHEMBL19554123 0.80 KCNK2 (0.50) KCNK2RAB9ACYP1A2CYP2C19KCNK10

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