SCHEMBL7987908

SCHEMBL7987908

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RAB9A P51151 5/20 0.48
GAA P10253 4/20 0.48
MGAM O43451 3/20 0.48
SI P14410 3/20 0.48
MGAM2 Q2M2H8 3/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
STAT1 P42224 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CCR3 P51677 1/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 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
SCHEMBL7977710 0.89 RAB9A (0.52) NPC1MAPTLMNAKDM4EMEN1
SCHEMBL6707244 0.87 RAB9A (0.48) NPC1MAPTLMNAMEN1KMT2A
SCHEMBL7991983 0.87 MAPK13 (0.50) NPC1MAPTLMNAMEN1KMT2A
SCHEMBL7991875 0.87 RAB9A (0.47) NPC1MAPTLMNAMEN1KMT2A
SCHEMBL7994926 0.87 RAB9A (0.45) NPC1MAPTLMNAKDM4EMEN1
SCHEMBL7978174 0.87 MAPT (0.56) NPC1MAPTLMNAKDM4EMEN1
SCHEMBL7978116 0.87 LMNA (0.61) NPC1MAPTLMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL7977594 0.86 MAPT (0.55) NPC1MAPTLMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL7991518 0.86 MEN1 (0.49) NPC1MAPTLMNAKDM4EMEN1
SCHEMBL7977588 0.86 SIRT2 (0.43) NPC1MAPTLMNAKDM4EMEN1

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