SCHEMBL22101456

SCHEMBL22101456

CCOc1cc(=O)n2cc(NC(C)(C)C(=O)OC)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM5 P41594 1/20 0.34
METTL3 Q86U44 2/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL22101363 0.84 TP53 (0.42) MAPTTP53LMNAPOLBKDM4E
SCHEMBL22101383 0.81 PIK3CB (0.30)
SCHEMBL22101264 0.78 ADORA3 (0.37) MAPT
SCHEMBL22101372 0.76 HDAC1 (0.35) MAPTTP53KDM4ERXFP1SMN1; SMN2
SCHEMBL22101810 0.74 HDAC1 (0.34) MAPTTP53KDM4ERXFP1ALDH1A1
SCHEMBL22101340 0.73 TP53 (0.41) MAPTTP53LMNAPOLBKDM4E
SCHEMBL22101452 0.71 MAPT (0.33) MAPT
SCHEMBL22101459 0.71 FFAR4 (0.32)
SCHEMBL22101373 0.70 KDM4E (0.38) MAPTTP53LMNAKDM4ERXFP1
SCHEMBL22101491 0.69 ALDH1A1 (0.33) KDM4EALDH1A1

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