SCHEMBL9846224

SCHEMBL9846224

CCc1cc(CCc2nc3c(Cl)cccc3o2)c(=O)[nH]c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.37
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
PIM1 P11309 3/20 0.33
CSNK2A2 P19784 3/20 0.33
CSNK2B P67870 3/20 0.33
PIM3 Q86V86 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PDE3B Q13370 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
SCHEMBL9278111 0.89 PIK3CD (0.44) PARP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9846133 0.87 PIK3CD (0.42) PARP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9280809 0.84 ALDH1A1 (0.38) PARP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9166348 0.82 IDH1 (0.37) PARP1ALDH1A1PIK3CDPIK3CBPIK3CG
SCHEMBL5573693 0.81 MAPT (0.54) MEN1KMT2APIK3CDPIK3CBSMN1; SMN2
SCHEMBL9283236 0.78 ALDH1A1 (0.41) ALDH1A1HPGDMEN1KMT2AGLA
SCHEMBL9283877 0.77 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL9846101 0.75 ALDH1A1 (0.38) PARP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9281338 0.75 PIK3CD (0.44) ALDH1A1HPGDMEN1KMT2APIK3CD
SCHEMBL9284917 0.74 ALDH1A1 (0.35) ALDH1A1HPGDMEN1KMT2AGLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP claimed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed