SCHEMBL7991733

SCHEMBL7991733

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
HPGD P15428 4/20 0.46
MAPK1 P28482 4/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CIT O14578 1/20 0.46
GAK O14976 1/20 0.46
MAPK13 O15264 1/20 0.46

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
Hydrochloric Acid SCHEMBL7988409 0.91 ALOX5 (0.50) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7991953 0.91 RAB9A (0.52) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7990080 0.89 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7977513 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7977577 0.89 RAB9A (0.47) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7991917 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7977987 0.88 ALOX5 (0.48) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7991779 0.88 AURKA (0.49) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7991856 0.87 LMNA (0.55) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7989929 0.87 MAPT (0.58) MEN1KMT2AALDH1A1MAPTRAB9A

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