SCHEMBL7989458

SCHEMBL7989458

O=C(Nc1nccs1)c1nc(-c2ccc(N3CCOCC3)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
AURKA O14965 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 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
SCHEMBL7977735 0.93 LMNA (0.50) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7977964 0.92 LMNA (0.49) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7991552 0.92 LMNA (0.43) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7988650 0.91 LMNA (0.48) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7988225 0.91 FGFR1 (0.54) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7978052 0.91 PARP1 (0.46) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7978064 0.89 MEN1 (0.47) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7977692 0.89 MEN1 (0.47) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL7991996 0.89 AURKA (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7991907 0.88 FGFR1 (0.52) LMNAMEN1KMT2AMAPTALDH1A1

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