SCHEMBL2852672

SCHEMBL2852672

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
ATM Q13315 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK14 Q16539 1/20 0.44
GAA P10253 2/20 0.43
P2RY12 Q9H244 1/20 0.42
NR3C1 P04150 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2860462 0.95 MAPT (0.55) MAPTALDH1A1LMNAPKMATM
SCHEMBL2853491 0.95 ALDH1A1 (0.55) MAPTALDH1A1LMNAPKMATM
SCHEMBL2857236 0.94 MAPT (0.54) MAPTALDH1A1LMNAPKMATM
SCHEMBL2852439 0.94 MAPT (0.56) MAPTALDH1A1LMNAPKMATM
SCHEMBL2856552 0.93 MAPT (0.53) MAPTALDH1A1LMNAPKMATM
SCHEMBL2852391 0.92 MAPT (0.52) MAPTALDH1A1LMNAPKMATM
SCHEMBL2857246 0.92 MAPT (0.57) MAPTALDH1A1LMNAPKMATM
SCHEMBL2856261 0.91 MAPT (0.56) MAPTALDH1A1LMNAPKMATM
SCHEMBL2859079 0.90 MAPT (0.60) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL2858523 0.87 MAPT (0.48) MAPTALDH1A1LMNAPKMRAB9A

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