SCHEMBL2852544

SCHEMBL2852544

CCCc1c(OC(=O)NCCc2cccnc2)cnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
GAA P10253 2/20 0.41
FAAH O00519 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
PIK3CA P42336 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
SCHEMBL2856513 0.85 TAAR1 (0.51) ALDH1A1MAPK1MAPTRAB9AKMT2A
SCHEMBL2856225 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL2860461 0.85 TAAR1 (0.54) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL2857176 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTRAB9AKMT2A
SCHEMBL2860396 0.85 GAA (0.52) ALDH1A1MAPK1MAPTRAB9AKMT2A
SCHEMBL2856518 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTRAB9ALMNA
SCHEMBL2853163 0.84 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL2852508 0.84 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL2853296 0.83 MAPK14 (0.47) ALDH1A1MAPK1MAPTRAB9ALMNA
SCHEMBL2857467 0.83 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTRAB9AKMT2A

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