SCHEMBL2858205

SCHEMBL2858205

O=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)NC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
EPHX1 P07099 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 4/20 0.45
HTT P42858 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CNR1 P21554 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2858063 0.86 MAPT (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2851938 0.82 SPR (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2852970 0.81 DRD2 (0.51) KMT2ACNR1
SCHEMBL2854169 0.79 MAPT (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2853075 0.78 HPGD (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2855981 0.78 MAPT (0.60) RAB9ANPC1MAPTNPSR1EPHX2
SCHEMBL10366974 0.77 HSD11B1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2850703 0.77 CNR1 (0.56) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL2859857 0.76 CNR1 (0.55) GAASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL2872664 0.76 MALT1 (0.42) RAB9ANPC1MAPTNPSR1

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