SCHEMBL7989968

SCHEMBL7989968

Nc1cccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(Cl)cc3)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MGAM O43451 2/20 0.45
GAA P10253 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 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
SCHEMBL7995613 0.91 RAB9A (0.45) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7977923 0.89 MEN1 (0.52) GCKMEN1KMT2AMAPTALDH1A1
SCHEMBL7989571 0.88 MAPK1 (0.56) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7995895 0.87 MEN1 (0.47) GCKMEN1KMT2AMAPTALDH1A1
SCHEMBL7989511 0.87 MEN1 (0.47) GCKMEN1KMT2AMAPTALDH1A1
SCHEMBL7977726 0.87 RAB9A (0.51) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7991396 0.85 KMT2A (0.54) GCKMEN1KMT2AMAPTALDH1A1
SCHEMBL7978170 0.85 MEN1 (0.52) GCKMEN1KMT2AMAPTALDH1A1
SCHEMBL7989469 0.84 MEN1 (0.49) GCKMEN1KMT2AMAPTALDH1A1
SCHEMBL7990080 0.84 MEN1 (0.53) GCKMEN1KMT2AMAPTALDH1A1

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