SCHEMBL7991983

SCHEMBL7991983

O=C(Nc1nccs1)c1nc(-c2cccc3ccccc23)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.50
GCGR P47871 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MGAM O43451 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 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
SCHEMBL7977710 0.92 RAB9A (0.52) RAB9ANPC1MEN1KMT2AMGAM
SCHEMBL7994926 0.91 RAB9A (0.45) RAB9ANPC1MEN1KMT2AMGAM
SCHEMBL7991875 0.91 RAB9A (0.47) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL6707244 0.91 RAB9A (0.48) RAB9ANPC1MEN1KMT2AMGAM
SCHEMBL7988277 0.90 SIRT2 (0.43) MAPK13GCGRMAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL7991518 0.90 MEN1 (0.49) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL7977588 0.89 SIRT2 (0.43) RAB9ANPC1MEN1KMT2AMGAM
SCHEMBL7991541 0.88 RAB9A (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7995180 0.88 MAPK1 (0.53) RAB9ANPC1MEN1KMT2AMGAM
SCHEMBL7987908 0.87 NPC1 (0.51) RAB9ANPC1MEN1KMT2AMGAM

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