SCHEMBL9756407

SCHEMBL9756407

CN(C(=O)Nc1nccs1)C(C)(C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
NR3C1 P04150 4/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
AURKA O14965 1/20 0.51
PIM1 P11309 1/20 0.51
CDK2 P24941 1/20 0.51
GSK3B P49841 1/20 0.51
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
STAT1 P42224 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SCD O00767 1/20 0.48

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
SCHEMBL667096 0.78 NR3C1 (0.65) KMT2AMEN1NR3C1NPC1RAB9A
SCHEMBL2893740 0.76 NR3C1 (0.62) KMT2AMEN1NR3C1NPC1RAB9A
SCHEMBL17186361 0.75 RAB9A (0.57) KMT2AMEN1NPC1RAB9AAURKA
SCHEMBL27737305 0.75 RAB9A (0.60) KMT2AMEN1NPC1RAB9AAURKA
Hydrochloric Acid SCHEMBL18605177 0.74 RAB9A (0.55) KMT2AMEN1NPC1RAB9AAURKA
SCHEMBL11412643 0.72 RAB9A (0.57) KMT2AMEN1NPC1RAB9AAURKA
Trifluoromethylbenzene SCHEMBL10350569 0.70 MEN1 (0.65) KMT2AMEN1NPC1RAB9AAURKA
SCHEMBL1340529 0.70 TSPO (0.54) NPC1RAB9AAURKAPIM1CDK2
SCHEMBL2896226 0.69 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL995829 0.69 NPC1 (1.00) KMT2AMEN1NPC1RAB9AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3200775-A None JP disclosed
JP-H03200775-A UREA DERIVATIVE, PREPARATION THEREOF AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT TOSOH CORP 1991-09-02 JP disclosed