SCHEMBL5268434

SCHEMBL5268434

COc1ccccc1CC(=O)Nc1c[nH]nc1C(=O)NCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.64
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL5268095 0.91 MAPT (0.53) TAAR1ALDH1A1HSD17B10MAPTLMNA
SCHEMBL5271885 0.84 MAPT (0.55) ALDH1A1HSD17B10MAPTLMNATSHR
SCHEMBL5269183 0.82 MAPT (0.55) ALDH1A1HSD17B10MAPTLMNATSHR
SCHEMBL5266006 0.82 RAB9A (0.51) POLBALDH1A1MAPTLMNANPC1
SCHEMBL5270533 0.81 MEN1 (0.47) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL5272692 0.81 SIRT1 (0.54) ALDH1A1HSD17B10MAPTLMNANPC1
SCHEMBL5268206 0.80 HPGD (0.53) POLBALDH1A1HSD17B10MAPTLMNA
SCHEMBL5269503 0.80 RAB9A (0.61) POLBALDH1A1HSD17B10MAPTLMNA
SCHEMBL5268228 0.80 GAA (0.54) POLBALDH1A1MAPTLMNATSHR
SCHEMBL5266469 0.79 SMN1; SMN2 (0.56) TAAR1ALDH1A1MAPTLMNANPC1

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-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed