SCHEMBL28021919

SCHEMBL28021919

CCc1nn(C)c(C(=O)OC)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
RAB9A P51151 8/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
NR3C1 P04150 2/20 0.36
ADCY10 Q96PN6 1/20 0.36
CYP2C9 P11712 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GALR3 O60755 1/20 0.34

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
SCHEMBL974535 0.85 LMNA (0.44) LMNARAB9ANPC1SMN1; SMN2ATM
SCHEMBL4768937 0.81 RAB9A (0.47) LMNARAB9ANPC1SMN1; SMN2ATM
SCHEMBL9043817 0.81 LMNA (0.45) LMNARAB9ANPC1SMN1; SMN2ATM
Hydrochloric Acid SCHEMBL9200724 0.79 RAB9A (0.46) LMNARAB9ANPC1SMN1; SMN2ATM
SCHEMBL30356279 0.79 LMNA (0.44) LMNARAB9ANPC1SMN1; SMN2ATM
SCHEMBL27488817 0.79 SMN1; SMN2 (0.48) LMNARAB9ANPC1SMN1; SMN2ATM
SCHEMBL8772851 0.79 LMNA (0.53) LMNARAB9ANPC1SMN1; SMN2ATM
SCHEMBL15209660 0.78 LMNA (0.43) LMNARAB9ANPC1SMN1; SMN2ATM
SCHEMBL24276055 0.76 KDM4E (0.40) LMNARAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL24276140 0.76 KDM4E (0.44) LMNARAB9ANPC1SMN1; SMN2L3MBTL1

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-104788378-A N-methyl-3-ethyl-4-hlorine pyrrole derivative compound HUNAN HAILI CHEMICAL INDUSTRY CO LTD 2015-07-22 CN disclosed