SCHEMBL8535594

SCHEMBL8535594

COc1ccc(-n2cnnn2)cc1CN

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 3/20 0.50
TSHR P16473 1/20 0.50
TACR1 P25103 2/20 0.48
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.45
NOTUM Q6P988 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 2/20 0.45
TP53 P04637 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL8529539 0.86 ALDH1A1 (0.56) ALDH1A1HPGDKMT2ATSHRTACR1
SCHEMBL221145 0.78 ALDH1A1 (0.56) ALDH1A1HPGDKMT2ATSHRHTT
SCHEMBL8530014 0.78 ALDH1A1 (0.54) ALDH1A1HPGDKMT2ATSHRHTT
SCHEMBL8179017 0.78 ALDH1A1 (0.54) ALDH1A1HPGDKMT2ATSHRHTT
SCHEMBL19381543 0.77 ALDH1A1 (0.50) ALDH1A1HPGDKMT2ATSHRTACR1
SCHEMBL16122122 0.77 ALDH1A1 (0.50) ALDH1A1HPGDKMT2ATSHRTACR1
SCHEMBL17725702 0.76 KMT2A (0.55) ALDH1A1HPGDKMT2ATSHRHTT
SCHEMBL8594200 0.74 ALDH1A1 (0.50) ALDH1A1HPGDKMT2ATSHRHTT
SCHEMBL311297 0.74 KCNJ1 (0.54) ALDH1A1HPGDKMT2ATSHRHTT
SCHEMBL12970651 0.73 RXFP1 (0.56) ALDH1A1HPGDKMT2ATSHRHTT

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
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed