SCHEMBL2861253

SCHEMBL2861253

CCCc1c(OC(=O)Nc2ccccc2F)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 5/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.43
MAPK14 Q16539 4/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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
SCHEMBL2854755 0.92 ALDH1A1 (0.56) MAPTLMNAPKMALDH1A1POLB
SCHEMBL2856274 0.89 MAPT (0.49) MAPTLMNAPKMALDH1A1RAB9A
SCHEMBL2856509 0.88 MAPT (0.48) MAPTLMNAPKMALDH1A1POLB
SCHEMBL2854695 0.87 MAPT (0.50) MAPTLMNAPKMALDH1A1POLB
SCHEMBL2853248 0.85 MAPT (0.48) MAPTLMNAPKMALDH1A1RAB9A
SCHEMBL2852672 0.84 MAPT (0.60) MAPTLMNAPKMALDH1A1POLB
SCHEMBL2856261 0.84 MAPT (0.56) MAPTLMNAPKMALDH1A1POLB
SCHEMBL2855792 0.84 MEN1 (0.48) MAPTLMNAPKMALDH1A1POLB
SCHEMBL2856348 0.84 MAPT (0.46) MAPTLMNAPKMALDH1A1POLB
SCHEMBL2860824 0.84 LMNA (0.57) MAPTLMNAPKMALDH1A1POLB

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