SCHEMBL23601255

SCHEMBL23601255

Cc1cccc2c1OCCN2c1nc2nncn2c2cccc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
POLB P06746 2/20 0.37
PIK3CD O00329 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.36
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HTR6 P50406 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23601746 0.90 MAPT (0.38) MAPTPOLBPIK3CDHPGDHSD17B10
SCHEMBL23601018 0.86 MAPT (0.38) MAPTPOLBPIK3CDHPGDHSD17B10
SCHEMBL23601076 0.83 MAPT (0.39) MAPTPOLBPIK3CDHPGDHSD17B10
SCHEMBL23601035 0.82 MAPT (0.43) MAPTPOLBHPGDHSD17B10ESR1
SCHEMBL23601753 0.79 SMN1; SMN2 (0.31) MAPTSMN1; SMN2
SCHEMBL24721563 0.79 MAPT (0.30) MAPT
SCHEMBL23601506 0.78 MAPT (0.37) MAPTPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL30047664 0.76 MAPT (0.43) MAPTPOLBHPGDHSD17B10ESR1
SCHEMBL23601025 0.75 HPGD (0.44) MAPTPOLBPIK3CDHPGDHSD17B10
SCHEMBL23601478 0.72 MAPT (0.42) MAPTPOLBHPGDHSD17B10ESR1

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed