SCHEMBL12264013

SCHEMBL12264013

CCc1nc2cccc(F)c2n1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3A P46098 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GRM2 Q14416 1/20 0.38
RAB9A P51151 1/20 0.36
LRRK2 Q5S007 2/20 0.36
FPR2 P25090 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CYP11B1 P15538 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34
TP53 P04637 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
SCHEMBL12263309 0.76 MEN1 (0.47) MEN1KMT2ADRD2DRD3GRM2
SCHEMBL22041563 0.76 CRHBP (0.48) MEN1KMT2ALMNAGAA
SCHEMBL30475796 0.76 CRHBP (0.48) MEN1KMT2ALMNAGAA
SCHEMBL22623697 0.75 LMNA (0.50) CYP11B2MEN1KMT2ARAB9AFPR2
SCHEMBL2547146 0.74 CYP11B2 (0.50) CYP11B2MAPK8MAPK9MAPK10MAPK14
SCHEMBL2510621 0.74 CYP11B2 (0.50) CYP11B2MAPK8MAPK9MAPK10MAPK14
SCHEMBL23946257 0.71 CYP11B2 (0.58) CYP11B2CYP11B1
SCHEMBL16597162 0.70 HSP90AB1 (0.49) MEN1KMT2AHSP90AB1LMNA
SCHEMBL16597163 0.70 CRHBP (0.45)
SCHEMBL20338285 0.69 CYP11B2 (1.00) CYP11B2CYP11B1

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
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed