SCHEMBL19554338

SCHEMBL19554338

CCc1cc(NC(=O)c2ccc3cc(F)ccc3c2)c(C(=O)O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.43
KCNK2 O95069 1/20 0.43
DHODH Q02127 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR35 Q9HC97 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SERPINE1 P05121 1/20 0.40
ACLY P53396 1/20 0.40
PYGL P06737 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
SCHEMBL19554206 0.91 SLC16A3 (0.43) SLC16A3KCNK2DHODHSMN1; SMN2ALDH1A1
SCHEMBL19554145 0.89 ALDH1A1 (0.45) SLC16A3KCNK2DHODHSMN1; SMN2ALDH1A1
SCHEMBL19554330 0.86 KCNK2 (0.46) KCNK2DHODHSMN1; SMN2ALDH1A1HPGD
SCHEMBL19554240 0.83 STING1 (0.50) KCNK2DHODHNPC1RAB9AMEN1
SCHEMBL19554296 0.83 KCNK2 (0.40) KCNK2DHODHSMN1; SMN2ALDH1A1HPGD
SCHEMBL19554093 0.83 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL19554173 0.82 KCNK2 (0.48) KCNK2DHODHNPC1RAB9AMEN1
SCHEMBL19554226 0.81 KCNK2 (0.42) KCNK2DHODHSMN1; SMN2ALDH1A1HPGD
SCHEMBL19554278 0.81 STING1 (0.43) SLC16A3KCNK2DHODHSMN1; SMN2ALDH1A1
SCHEMBL19554225 0.81 SERPINE1 (0.43) KCNK2DHODHSMN1; SMN2ALDH1A1HPGD

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