SCHEMBL22101706

SCHEMBL22101706

CCc1nc2c(F)cc(C)cn2c(=O)c1OCCO

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
P2RX7 Q99572 2/20 0.31
KCNJ5 P48544 2/20 0.31
KCNJ3 P48549 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTT P42858 1/20 0.31
ENPP2 Q13822 1/20 0.31
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK14 Q16539 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22101905 0.88 PDE2A (0.31) KCNJ5KCNJ3RXFP1MAPTATM
SCHEMBL22393766 0.85
SCHEMBL22101707 0.84 ALDH1A1 (0.32) RXFP1MAPK14LMNAMAPTL3MBTL1
SCHEMBL22101184 0.84 CRHR1 (0.31) LMNA
SCHEMBL22393707 0.84 MAPK3 (0.31)
SCHEMBL22101713 0.82 MAPT (0.34) RXFP1HTTKMT2ALMNAMAPT
SCHEMBL22101709 0.79 GRIN1 (0.32) RXFP1LMNA
SCHEMBL22101536 0.78 THRB (0.38) P2RX7RXFP1HTTTHRBKMT2A
SCHEMBL22101724 0.77 KDM4E (0.45) RXFP1KMT2ALMNAMAPT
SCHEMBL22393702 0.77 HCAR2 (0.32) ATML3MBTL1

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