SCHEMBL2856552

SCHEMBL2856552

CCCc1c(OC(=O)Nc2ccc(OCC)cc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 3/20 0.47
POLB P06746 3/20 0.44
TP53 P04637 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
AURKA O14965 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR3C1 P04150 1/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 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
SCHEMBL2852672 0.93 MAPT (0.60) MAPTALDH1A1POLBLMNAPKM
SCHEMBL2850541 0.90 MAPT (0.58) MAPTALDH1A1TP53GAARAB9A
SCHEMBL2860462 0.88 MAPT (0.55) MAPTALDH1A1TP53LMNAPKM
SCHEMBL2853491 0.88 ALDH1A1 (0.55) MAPTALDH1A1POLBLMNAPKM
SCHEMBL2852391 0.87 MAPT (0.52) MAPTALDH1A1POLBLMNAPKM
SCHEMBL2857236 0.87 MAPT (0.54) MAPTALDH1A1NPBWR1MCHR1LMNA
SCHEMBL2852439 0.87 MAPT (0.56) MAPTALDH1A1POLBLMNAPKM
SCHEMBL2857246 0.85 MAPT (0.57) MAPTALDH1A1LMNAPKMNR3C1
SCHEMBL2856261 0.84 MAPT (0.56) MAPTALDH1A1POLBLMNAPKM
SCHEMBL2859079 0.84 MAPT (0.60) MAPTALDH1A1POLBTP53LMNA

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