SCHEMBL9129574

SCHEMBL9129574

COC(=O)c1cc(Cc2cccnc2)ccc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
KDM4E B2RXH2 4/20 0.72
HSD17B10 Q99714 4/20 0.72
GAA P10253 2/20 0.72
HPGD P15428 2/20 0.72
TSHR P16473 2/20 0.72
MAPT P10636 1/20 0.72
ALOX15 P16050 1/20 0.72
CFTR P13569 2/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
BLM P54132 1/20 0.49
CDC25B P30305 1/20 0.47
CASP6 P55212 1/20 0.47
RCE1 Q9Y256 1/20 0.47
TBXAS1 P24557 6/20 0.46
RECQL P46063 1/20 0.44

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
SCHEMBL30041521 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL1809277 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4604088 0.84 ALDH1A1 (0.85) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL9023687 0.79 NEK1 (0.48) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL30632097 0.78 ALDH1A1 (0.61) ALDH1A1GAATBXAS1
SCHEMBL11059396 0.78 ALDH1A1 (0.61) ALDH1A1GAATBXAS1
SCHEMBL12846981 0.77 ALDH1A1 (0.82) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL28461381 0.77 KMT2A (0.71) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL30362902 0.77 KMT2A (0.71) ALDH1A1KDM4EHPGDTSHRKMT2A
Hydrochloric Acid SCHEMBL10631732 0.76 CYP19A1 (0.62) ALDH1A1GAAALOX15KMT2AMEN1

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
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed