SCHEMBL7990080

SCHEMBL7990080

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
KCNMA1 Q12791 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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 SCHEMBL7991772 0.91 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7977923 0.91 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7991733 0.89 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7977513 0.89 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7990144 0.89 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7991889 0.89 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7991619 0.88 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7978170 0.88 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7995602 0.88 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL7989723 0.88 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1RAB9A

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