SCHEMBL28036112

SCHEMBL28036112

O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccc(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
LIPG Q9Y5X9 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
MLYCD O95822 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.55
PLA2G1B P04054 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
NR4A2 P43354 1/20 0.55
BACE1 P56817 1/20 0.54

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
SCHEMBL9849523 0.88 MEN1 (0.70) RAB9ANPC1L3MBTL1LMNAMEN1
SCHEMBL28036041 0.88 MLYCD (0.54) RAB9ANPC1LIPGL3MBTL1LMNA
SCHEMBL15847246 0.82 PTPN7 (0.57) RAB9ALIPGL3MBTL1LMNAMEN1
SCHEMBL16298245 0.81 MRGPRX4 (0.66) MEN1KMT2AMAPTMRGPRX4NR4A2
SCHEMBL5261051 0.80 MLYCD (0.80) RAB9AL3MBTL1LMNAMEN1KMT2A
SCHEMBL3571475 0.80 BACE1 (0.60) RAB9ANPC1L3MBTL1LMNAMEN1
SCHEMBL3235987 0.80 BACE1 (0.60) RAB9ANPC1L3MBTL1LMNAMEN1
SCHEMBL3572811 0.80 BACE1 (0.60) RAB9ANPC1L3MBTL1LMNAMEN1
SCHEMBL5178260 0.79 LMNA (0.65) RAB9ANPC1L3MBTL1LMNAMEN1
SCHEMBL30661718 0.79 MLYCD (0.65) RAB9ANPC1L3MBTL1LMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008354-A Protein kinase inhibitors ORIBASE PHARMA 2015-10-28 CN disclosed