SCHEMBL21024152

SCHEMBL21024152

CC(C)c1ccnn1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
OXTR P30559 1/20 0.38
ABHD16A O95870 1/20 0.38
PPARA Q07869 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
FLT3 P36888 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CACNA1H O95180 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3319315 0.83 NR3C1 (0.38) MAPK14OXTRABHD16APPARAKDM5A
SCHEMBL3316602 0.83 MAPK14 (0.37) MAPK14OXTRABHD16AMEN1KMT2A
SCHEMBL4547931 0.82 POLB (0.53) MAPK14NPC1LMNARAB9APOLB
SCHEMBL24185728 0.81 POLB (0.36) PPARAMEN1KMT2ANPC1LMNA
SCHEMBL24878378 0.76 ALDH1A1 (0.44) MAPK14OXTRABHD16ANPC1LMNA
SCHEMBL27678469 0.76 MAPK14 (0.33) MAPK14OXTRABHD16AKDM5AKDM4C
SCHEMBL15779574 0.75 OXTR (0.48) OXTRABHD16AMEN1KMT2ANPC1
SCHEMBL31466379 0.72 RXRA (0.39) NOTUM
SCHEMBL18161148 0.71 PPARA (0.47) PPARAMEN1KMT2ANPC1LMNA
SCHEMBL1491089 0.71 POLB (0.64) MAPK14OXTRABHD16AMEN1KMT2A

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
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed