SCHEMBL7977912

SCHEMBL7977912

O=C(Nc1nccs1)c1nc(-c2ccc(OCCO)cc2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PSMD14 O00487 1/20 0.46
HK1 P19367 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45

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
SCHEMBL7988204 0.93 ALDH1A1 (0.53) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL7989004 0.91 MEN1 (0.58) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL7978324 0.91 MEN1 (0.57) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL7989960 0.90 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL7991986 0.90 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL7978135 0.89 ALOX5 (0.56) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL7988792 0.87 MEN1 (0.52) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL7991733 0.86 MEN1 (0.50) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL7991953 0.85 RAB9A (0.52) ALDH1A1HPGDNPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL7988409 0.85 ALOX5 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed