SCHEMBL19554207

SCHEMBL19554207

COCc1cc(NC(=O)c2ccc3ccccc3c2)c(C(=O)O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 2/20 0.52
KCNH2 Q12809 1/20 0.52
SLC16A3 O15427 1/20 0.52
NR1H4 Q96RI1 5/20 0.49
DHODH Q02127 1/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
F10 P00742 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SERPINE1 P05121 1/20 0.47

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
SCHEMBL19554343 0.91 KDM4E (0.53) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL19554145 0.89 ALDH1A1 (0.45) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL19554355 0.84 DHODH (0.56) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL19554221 0.83 KMT2A (0.64) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL19554172 0.79 DHODH (0.52) RAB9ANPC1MEN1KMT2ASLC16A3
SCHEMBL19554234 0.79 DHODH (0.58) RAB9ANPC1MEN1KMT2ASLC16A3
SCHEMBL19554338 0.78 SLC16A3 (0.43) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL8044197 0.76 DHODH (0.79) RAB9ANPC1MEN1KMT2ASLC16A3
SCHEMBL19554206 0.76 SLC16A3 (0.43) MEN1ALDH1A1KMT2ASLC16A3NR1H4
SCHEMBL19554296 0.76 KCNK2 (0.40) RAB9ANPC1MEN1ALDH1A1KMT2A

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