SCHEMBL19554248

SCHEMBL19554248

O=C(Nc1cc(-c2ccncc2)c(Cl)cc1C(=O)O)c1ccc2cc(F)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.48
ACLY P53396 1/20 0.47
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
STING1 Q86WV6 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRSS12 P56730 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SERPINE1 P05121 1/20 0.41
KCNK2 O95069 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
DHODH Q02127 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
SCHEMBL19554195 0.89 ABL1 (0.50) ABL1ACLYALDH1A1STING1SERPINE1
SCHEMBL19554126 0.83 PRSS12 (0.47) ACLYMAPTTDP1MEN1KMT2A
SCHEMBL19554330 0.82 KCNK2 (0.46) ACLYALDH1A1STING1MAPTSMN1; SMN2
SCHEMBL19554249 0.82 ACLY (0.50) ACLYMAPTTDP1MEN1KMT2A
SCHEMBL19554206 0.81 SLC16A3 (0.43) ACLYALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL19554240 0.80 STING1 (0.50) ACLYSTING1KDM4EMAPTTDP1
SCHEMBL19554229 0.79 SERPINE1 (0.61) KDM4ESERPINE1KCNK2
SCHEMBL19554173 0.78 KCNK2 (0.48) ACLYMAPTTDP1MEN1KMT2A
SCHEMBL19554338 0.78 SLC16A3 (0.43) ACLYALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL19554226 0.78 KCNK2 (0.42) ACLYALDH1A1KDM4EMAPTSMN1; SMN2

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