SCHEMBL2854441

SCHEMBL2854441

CN(CCc1ccccn1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 5/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.39
CNR1 P21554 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
PTK2B Q14289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2858117 0.85 MAPT (0.41) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL2854456 0.84 MEN1 (0.47) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL2855610 0.83 CNR1 (0.58) RAB9AMAPTKMT2AKDM4ECNR1
SCHEMBL2859025 0.78 NAMPT (0.44) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL2856094 0.76 MAPT (0.42) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL2854032 0.74 MAPT (0.43) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL2858063 0.73 MAPT (0.57) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL2858119 0.73 MAPT (0.43) RAB9AALDH1A1MAPTKDM4ECNR1
SCHEMBL2848353 0.73 SMN1; SMN2 (0.48) RAB9AALDH1A1MAPTKDM4ECNR1
SCHEMBL2860433 0.72 MAPT (0.48) RAB9AALDH1A1MAPTMEN1KMT2A

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed