SCHEMBL7977750

SCHEMBL7977750

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
MAPT P10636 6/20 0.55
LMNA P02545 6/20 0.55
GAA P10253 4/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MGAM O43451 2/20 0.55
SI P14410 2/20 0.55
RAB9A P51151 2/20 0.55
MGAM2 Q2M2H8 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 1/20 0.55
STAT1 P42224 1/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7978116 0.92 LMNA (0.61) KMT2AMEN1MAPTLMNAGAA
SCHEMBL7988989 0.92 MEN1 (0.56) KMT2AMEN1MAPTLMNAGAA
SCHEMBL7991955 0.90 MAPT (0.55) KMT2AMEN1MAPTLMNAGAA
SCHEMBL7978174 0.89 MAPT (0.56) KMT2AMEN1MAPTLMNAGAA
SCHEMBL7991811 0.89 LMNA (0.56) KMT2AMEN1MAPTLMNAGAA
Hydrochloric Acid SCHEMBL7977594 0.88 MAPT (0.55) KMT2AMEN1MAPTLMNAGAA
SCHEMBL7991856 0.88 LMNA (0.55) KMT2AMEN1MAPTLMNAGAA
Hydrochloric Acid SCHEMBL7992009 0.88 LMNA (0.55) KMT2AMEN1MAPTLMNAGAA
SCHEMBL7988571 0.88 MAPT (0.55) KMT2AMEN1MAPTLMNAGAA
Hydrochloric Acid SCHEMBL7991395 0.88 MAPT (0.52) KMT2AMEN1MAPTLMNAGAA

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