SCHEMBL19554145

SCHEMBL19554145

COCc1cc(NC(=O)c2ccc3cc(F)ccc3c2)c(C(=O)O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
KCNK2 O95069 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DHODH Q02127 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL19554207 0.89 RAB9A (0.52) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL19554338 0.89 SLC16A3 (0.43) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL19554206 0.87 SLC16A3 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL19554296 0.86 KCNK2 (0.40) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL19554093 0.84 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL19554330 0.82 KCNK2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL19554343 0.81 KDM4E (0.53) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL19554240 0.80 STING1 (0.50) MEN1KMT2ANPC1RAB9APKM
SCHEMBL19554290 0.79 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL19554122 0.79 AKR1C4 (0.61) ALDH1A1MEN1KMT2AHTTNPC1

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