SCHEMBL2860939

SCHEMBL2860939

CC(=O)c1cccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
NPY5R Q15761 1/20 0.39
HPGD P15428 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL2860829 0.91 TNKS (0.42) LMNAATMTDP1MAPTKMT2A
SCHEMBL2848615 0.91 MAPT (0.44) ATMNPC1MAPTKMT2AMEN1
SCHEMBL2850258 0.90 MAPT (0.51) CYP1A2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2856756 0.90 ACHE (0.40) LMNAATMTDP1MAPTKMT2A
SCHEMBL2853258 0.89 NPY5R (0.45) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2860210 0.89 NR3C1 (0.42) RAB9AMAPTKMT2AMEN1TP53
SCHEMBL2854572 0.88 RAB9A (0.44) CYP1A2NPC1RAB9AMAPTKMT2A
SCHEMBL2854221 0.88 MAPT (0.51) LMNATDP1MAPTKMT2AMEN1
SCHEMBL2852565 0.88 MAPT (0.42) LMNACYP1A2NPC1RAB9AMAPT
SCHEMBL2858311 0.88 RAB9A (0.47) ATMNPC1RAB9AMAPTKMT2A

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 claimed