SCHEMBL2856558

SCHEMBL2856558

CCCc1c(OC(=O)NCCc2ccc(Cl)cc2Cl)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 2/20 0.43
CNR1 P21554 3/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.41
P2RX7 Q99572 2/20 0.41
GAA P10253 1/20 0.40
MAPK14 Q16539 1/20 0.40
HPGD P15428 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2854836 0.88 MAPK14 (0.42) LMNAPKMMAPTALDH1A1GAA
SCHEMBL2856900 0.87 MAPT (0.47) LMNAPKMMAPTCNR1GAA
SCHEMBL2858349 0.86 CNR1 (0.44) LMNAPKMMAPTCNR1ALDH1A1
SCHEMBL2856893 0.86 MAPT (0.43) LMNAPKMMAPTCNR1ALDH1A1
SCHEMBL2850361 0.86 ABCB1 (0.48) LMNAPKMMAPTCNR1KMT2A
SCHEMBL2852322 0.85 MAPT (0.44) LMNAPKMMAPTCNR1ALDH1A1
SCHEMBL2860231 0.85 CNR1 (0.50) LMNAPKMMAPTCNR1KMT2A
SCHEMBL2856348 0.85 MAPT (0.46) LMNAPKMMAPTCNR1ALDH1A1
SCHEMBL2860461 0.84 TAAR1 (0.54) LMNAPKMMAPTCNR1ALDH1A1
SCHEMBL2850486 0.83 MAPT (0.46) LMNAPKMMAPTKMT2AGAA

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