SCHEMBL7921377

SCHEMBL7921377

COC(=O)c1ccc([N+](=O)[O-])cc1Sc1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
PTGES O14684 1/20 0.54
TBXA2R P21731 1/20 0.51
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45
VCAM1 P19320 1/20 0.45
CRHBP P24387 1/20 0.45
CASP3 P42574 1/20 0.45
CRHR2 Q13324 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
SCHEMBL7919799 0.85 PTGES (0.60) GAAPTGESTBXA2RALDH1A1MAPT
SCHEMBL18585000 0.84 KMT2A (0.52) GAAALDH1A1MAPTLMNAHSD17B10
SCHEMBL18641503 0.84 MAPT (0.46) GAAPTGESALDH1A1MAPTLMNA
SCHEMBL2954723 0.80 SMN1; SMN2 (0.58) ALDH1A1MAPTLMNAHSD17B10HPGD
SCHEMBL6935214 0.80 GAA (0.46) GAAPTGESTBXA2RALDH1A1MAPT
SCHEMBL6756967 0.80 POLB (0.52) GAAPTGESTBXA2RALDH1A1MAPT
SCHEMBL18585210 0.78 MAPT (0.39) GAAPTGESALDH1A1MAPTLMNA
SCHEMBL1163261 0.76 ADRB2 (0.56) GAAALDH1A1MAPTKDM4EMAPK1
SCHEMBL18641436 0.76 MAPT (0.49) GAAPTGESTBXA2RALDH1A1MAPT
SCHEMBL1403472 0.76 ALDH1A1 (0.56) GAAALDH1A1MAPTLMNAKDM4E

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-6291442-B1 Pharmacological modulators of voltage-gated potassium ion channels THE GENERAL HOSPITAL CORPORATION 2001-09-18 US disclosed