SCHEMBL22101792

SCHEMBL22101792

O=c1[nH]c(C(F)F)nc2c(F)cc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
CSNK2B P67870 2/20 0.38
CDC7 O00311 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HCAR2 Q8TDS4 9/20 0.38
HTT P42858 1/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
PARP3 Q9Y6F1 1/20 0.36
PARP4 Q9UKK3 2/20 0.34
CSNK2A2 P19784 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL22101466 0.78 PARP1 (0.37) PIM1CSNK2BHTTPARP1PARP2
SCHEMBL22393820 0.75 PKM (0.46) PIM1CSNK2BCSNK2A1HCAR2PARP1
SCHEMBL22101302 0.75 GAA (0.51) PIM1CSNK2BCDC7CSNK2A1HTT
SCHEMBL22393695 0.74 PARP2 (0.38) CSNK2BHCAR2HTTPARP1PARP2
SCHEMBL22101365 0.74 PARP1 (0.47) PIM1CSNK2BHTTPARP1PARP2
SCHEMBL22101758 0.73 CDC7 (0.47) PIM1CSNK2BCDC7CSNK2A1PARP1
SCHEMBL22101861 0.73 PARP1 (0.42) PIM1HCAR2HTTPARP1PARP2
SCHEMBL6979552 0.72 PPARG (0.46) PIM1CSNK2BCDC7CSNK2A1HTT
SCHEMBL22101891 0.71 KDM4C (0.46) HCAR2HTTPARP1PARP2TNKS
SCHEMBL18130618 0.69 IP6K1 (0.56) PIM1CSNK2BCDC7CSNK2A1PARP1

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