SCHEMBL28036041

SCHEMBL28036041

O=C(O)c1cccc(CNC(=S)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NR4A2 P43354 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
PLA2G1B P04054 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
MAPK14 Q16539 1/20 0.52
LIPG Q9Y5X9 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL28036112 0.88 RAB9A (0.61) MLYCDMEN1KMT2ANR4A2MRGPRX4
SCHEMBL15847246 0.85 PTPN7 (0.57) MLYCDMEN1KMT2ANR4A2MRGPRX4
SCHEMBL15848569 0.83 MEN1 (0.60) MEN1KMT2ANR4A2MRGPRX4GAA
SCHEMBL9526863 0.79 MEN1 (0.60) MLYCDMEN1KMT2ANR4A2MAPT
SCHEMBL16298245 0.79 MRGPRX4 (0.66) MEN1KMT2ANR4A2MRGPRX4MAPT
SCHEMBL13561187 0.79 MRGPRX4 (0.56) MEN1KMT2ANR4A2MRGPRX4MAPT
SCHEMBL28029872 0.78 MRGPRX4 (0.53) MEN1KMT2ANR4A2MRGPRX4LMNA
SCHEMBL5261051 0.78 MLYCD (0.80) MLYCDMEN1KMT2AMRGPRX4PLA2G1B
SCHEMBL30661718 0.77 MLYCD (0.65) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL23447721 0.76 MLYCD (0.77) MLYCDMEN1KMT2APLA2G1BCYP1A2

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