SCHEMBL14529451

SCHEMBL14529451

Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2cc[nH]c2)nn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PARP1 P09874 2/20 0.37
▸ CFTR P13569 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL5269617 0.88 MGLL (0.48) MGLLKDM4EHPGDALDH1A1BRD4
SCHEMBL13213055 0.84 MGLL (0.53) MGLLKDM4EHPGDALDH1A1BRD4
SCHEMBL14529223 0.80 MGLL (0.43) MGLLKDM4EHPGDALDH1A1BRD4
SCHEMBL5268500 0.78 PTGS2 (0.48) MGLLHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL5265663 0.77 CHRNA7 (0.39) MGLLHPGDMALT1MEN1MAPT
SCHEMBL5269952 0.77 MGLL (0.39) MGLLHPGDMALT1NPC1RAB9A
SCHEMBL2915944 0.75 MGLL (0.60) MGLLKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL5268336 0.73 CHRNA7 (0.39) MGLLHPGDMALT1SMN1; SMN2MEN1
SCHEMBL5270001 0.72 MGLL (0.44) MGLLKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL2921268 0.72 MGLL (0.51) MGLLKDM4EHPGDALDH1A1MALT1

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-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 — — EP disclosed
Send feedback