SCHEMBL8048925

SCHEMBL8048925

O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.61
KMT2A Q03164 11/20 0.61
MAPT P10636 10/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
NPC1 O15118 6/20 0.61
RAB9A P51151 5/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TRPA1 O75762 2/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
ALDH1A1 P00352 8/20 0.56
POLB P06746 4/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 4/20 0.55
ATM Q13315 1/20 0.55
MAPK1 P28482 1/20 0.53
EGFR P00533 2/20 0.52

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
SCHEMBL8048921 1.00 MEN1 (0.61) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8064094 0.91 MEN1 (0.61) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8064096 0.91 MEN1 (0.61) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6526030 0.86 MAPT (0.70) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8065988 0.86 TRPA1 (0.76) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6526033 0.86 MAPT (0.70) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8065991 0.86 TRPA1 (0.76) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8060354 0.82 TRPA1 (0.73) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8060350 0.82 TRPA1 (0.73) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8065940 0.81 GRIK1 (0.62) MEN1KMT2AMAPTTRPA1TRPM8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed