SCHEMBL19554126

SCHEMBL19554126

O=C(Nc1cc(-c2ccccn2)c(Cl)cc1C(=O)O)c1ccc2cc(F)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 2/20 0.47
ACLY P53396 1/20 0.44
SERPINE1 P05121 1/20 0.43
DHODH Q02127 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
GRIK1 P39086 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
GRM1 Q13255 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL19555284 0.84 DHODH (0.47) DHODHMEN1MAPTKMT2A
SCHEMBL19554249 0.84 ACLY (0.50) PRSS12ACLYSERPINE1DHODHMEN1
SCHEMBL19554248 0.83 ABL1 (0.48) PRSS12ACLYSERPINE1DHODHMEN1
SCHEMBL19554195 0.82 ABL1 (0.50) ACLYSERPINE1
SCHEMBL19554330 0.80 KCNK2 (0.46) PRSS12ACLYDHODHMEN1MAPT
SCHEMBL19554240 0.78 STING1 (0.50) PRSS12ACLYDHODHMEN1MAPT
SCHEMBL19554180 0.77 KDM4E (0.57) DHODHMEN1MAPTKMT2ATDP1
SCHEMBL19554229 0.76 SERPINE1 (0.61) SERPINE1
SCHEMBL19554338 0.76 SLC16A3 (0.43) ACLYSERPINE1DHODHMEN1PKM
SCHEMBL19554206 0.76 SLC16A3 (0.43) PRSS12ACLYDHODHMEN1MAPT

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