SCHEMBL8207229

SCHEMBL8207229

CCc1cc(C(=O)NC(Cc2ccccc2)C2=COCO2)c(N)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 3/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
GALR1 P47211 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
GFER P55789 1/20 0.34
TACR3 P29371 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL8212891 0.92 ALDH1A1 (0.40) ALOX15HSD17B10GAAMAPK1MAPT
SCHEMBL8200315 0.92 ALOX15 (0.40) ALOX15TP53GALR1ALDH1A1KMT2A
SCHEMBL8209525 0.89 KMT2A (0.37) ALOX15HSD17B10GAAMAPTHTT
SCHEMBL8199872 0.87 TAAR1 (0.44) ALOX15GAAMAPTHTTGALR1
SCHEMBL8211806 0.87 PYGL (0.36) LMNAGAAMAPTHTTALDH1A1
SCHEMBL8207755 0.83 GRIN2C (0.48) GAAMAPTNPSR1HTTALDH1A1
SCHEMBL8200396 0.81 ALDH1A1 (0.44) HSD17B10GAAMAPK1MAPTNPSR1
SCHEMBL8200330 0.81 MAPT (0.45) LMNAGAAMAPTNPSR1HTT
SCHEMBL8200017 0.79 MAPT (0.46) LMNAGAAMAPTNPSR1HTT
SCHEMBL8206045 0.76 GRIN2C (0.39) MAPTHTTGALR1ALDH1A1KMT2A

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-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed