SCHEMBL19554221

SCHEMBL19554221

COc1cc(NC(=O)c2ccc3ccccc3c2)c(C(=O)O)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
NPC1 O15118 6/20 0.64
MEN1 O00255 5/20 0.64
ALDH1A1 P00352 4/20 0.64
RAB9A P51151 4/20 0.64
HTT P42858 3/20 0.64
KCNH2 Q12809 1/20 0.64
AKR1C4 P17516 1/20 0.59
AKR1C3 P42330 1/20 0.59
AKR1C2 P52895 1/20 0.59
AKR1C1 Q04828 1/20 0.59
MAPT P10636 3/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 2/20 0.57
NOD2 Q9HC29 1/20 0.57
LMNA P02545 3/20 0.56
CHEK1 O14757 1/20 0.55
PIM1 P11309 1/20 0.55
MAPK8 P45983 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55

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
SCHEMBL19554283 0.91 KDM4E (0.60) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554243 0.90 KMT2A (0.57) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554093 0.89 SMN1; SMN2 (0.62) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554137 0.87 ALDH1A1 (0.54) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554355 0.86 DHODH (0.56) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554288 0.86 KMT2A (0.55) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554329 0.86 MAPT (0.59) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554300 0.86 MAPT (0.56) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554109 0.85 MEN1 (0.53) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL19554179 0.85 MEN1 (0.52) KMT2ANPC1MEN1ALDH1A1RAB9A

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