SCHEMBL27722984

SCHEMBL27722984

Cc1cc(C)nc(N2CCN(C=O)CC2)n1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
GBA1 P04062 2/20 0.44
SORD Q00796 2/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL27723001 0.80 SLC6A7 (0.53) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL27722983 0.78 GBA1 (0.59) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL30670461 0.77 HCRTR1 (0.52)
SCHEMBL30465895 0.77 HCRTR1 (0.52)
SCHEMBL28473270 0.77 RET (0.56)
SCHEMBL19893876 0.77 KMT2A (0.36) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8171578 0.76 HRH4 (0.65) KMT2AMEN1KDM4EHSD17B10HPGD
SCHEMBL1708189 0.76 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL13033934 0.76 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL10410296 0.75 CRHBP (0.64) MAPTTSHRHRH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN claimed
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN disclosed