SCHEMBL23601697

SCHEMBL23601697

Cc1cccc(-c2ccc(CC(F)(F)F)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.42
AR P10275 1/20 0.41
PDK2 Q15119 1/20 0.39
MAP4K4 O95819 2/20 0.38
WNT3A P56704 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ENPP3 O14638 1/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN1 Q05586 2/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL16103844 0.83 CLK4 (0.41) ARMAP4K4WNT3AEGLN1ENPP3
SCHEMBL24721045 0.82 BCL2 (0.42) MAP4K4GRIN2B
SCHEMBL24721754 0.81 PTPN5 (0.46) PTPN5MAP4K4ALDH1A1GAAATM
SCHEMBL23601700 0.77 L3MBTL1 (0.44) ARALDH1A1
SCHEMBL13036072 0.76 AR (0.48) PTPN5AR
SCHEMBL23600947 0.75 CCR1 (0.43) PDK2GAAHPGDRAB9AGRIN2B
SCHEMBL21377212 0.74 AR (0.42) PTPN5ARPDK2MAP4K4EGLN1
SCHEMBL13680468 0.74 GRIN1 (0.53) ARMAP4K4NPC1TP53RAB9A
SCHEMBL2757248 0.73 MAP4K4 (0.46) MAP4K4WNT3ARAB9AENPP3ACHE
SCHEMBL4404645 0.73 HSD17B1 (0.55) MAP4K4RAB9AENPP3ACHE

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