SCHEMBL5267582

SCHEMBL5267582

O=C(COc1ccccc1)Nc1c[nH]nc1C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
NPC1 O15118 4/20 0.52
RAB9A P51151 2/20 0.52
NOTUM Q6P988 1/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MLYCD O95822 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALPL P05186 1/20 0.49
TSHR P16473 1/20 0.49
MAPK10 P53779 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL5267166 0.87 NPC1 (0.52) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4288644 0.85 ALDH1A1 (0.59) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5270571 0.84 KMT2A (0.59) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL5269280 0.84 CYP1A2 (0.58) LMNANPC1RAB9AMEN1ALDH1A1
SCHEMBL5266469 0.82 SMN1; SMN2 (0.56) LMNANPC1RAB9AMEN1ALDH1A1
SCHEMBL5269233 0.81 KMT2A (0.51) LMNANPC1RAB9AMEN1ALDH1A1
SCHEMBL5272569 0.81 MAPT (0.58) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL5267186 0.80 NAPRT (0.51) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL5265834 0.80 SIRT1 (0.53) NPC1RAB9AMEN1KMT2A
SCHEMBL5267455 0.79 SMN1; SMN2 (0.63) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2

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