SCHEMBL9680867

SCHEMBL9680867

CCc1cc(CCc2nc3c(F)ccc(F)c3o2)c(=O)[nH]c1CO

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR2 Q8TDS4 3/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
APLNR P35414 3/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CB P42338 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
SCHEMBL9846101 0.85 ALDH1A1 (0.38) MEN1ALDH1A1HPGDKMT2AHCAR2
SCHEMBL9601892 0.83 ALDH1A1 (0.36) MEN1ALDH1A1HPGDKMT2AHCAR2
SCHEMBL9449230 0.76 MAPT (0.50) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL6366768 0.76 ALDH1A1 (0.35) MEN1ALDH1A1HPGDKMT2AGLA
SCHEMBL9280614 0.72 PIK3CD (0.42) MEN1ALDH1A1HPGDKMT2AGLA
SCHEMBL9680858 0.72 ALDH1A1 (0.32) MEN1ALDH1A1HPGDKMT2AHCAR2
SCHEMBL9846133 0.70 PIK3CD (0.42) MEN1ALDH1A1HPGDKMT2AHCAR2
SCHEMBL9283877 0.69 ALDH1A1 (0.39) MEN1ALDH1A1HPGDKMT2AGLA
SCHEMBL9280809 0.68 ALDH1A1 (0.38) MEN1ALDH1A1HPGDKMT2AGLA
SCHEMBL9846239 0.67 MEN1 (0.32) MEN1ALDH1A1HPGDKMT2AHCAR2

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-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP claimed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed