SCHEMBL22101440

SCHEMBL22101440

CCc1cc(=O)n2cc(NC(C)(C)C=O)cc(C)c2n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
MAT2A P31153 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NTRK1 P04629 1/20 0.30
NTRK2 Q16620 1/20 0.30
PKM P14618 1/20 0.30
ACKR3 P25106 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22101430 0.82 MAPT (0.38) POLBMAT2AMAPTKCNH2RXFP1
SCHEMBL22101503 0.81 L3MBTL1 (0.36) POLBL3MBTL1MAPTRXFP1NTRK1
SCHEMBL22393765 0.77 MAPT (0.40) POLBL3MBTL1MAT2AKDM5BMAPT
SCHEMBL22101696 0.75 KDM5B (0.39) POLBL3MBTL1MAT2AKDM5BMAPT
SCHEMBL22101427 0.72 PABPC1 (0.42) L3MBTL1MAT2AKDM5BMAPTRXFP1
SCHEMBL22101360 0.70 MAPT (0.35) POLBMAT2AMAPTRXFP1ACKR3
SCHEMBL22101447 0.70 BCAT2 (0.33) MAT2A
SCHEMBL22101896 0.70 MAPT (0.40) POLBMAT2AMAPTNTRK1NTRK2
SCHEMBL13833755 0.66 PKM (0.58) POLBMAPTRXFP1NTRK1NTRK2
SCHEMBL22101695 0.65 MAPT (0.40) POLBL3MBTL1MAT2AKDM5BMAPT

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
EP-3666772-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-17 EP disclosed