SCHEMBL9504728

SCHEMBL9504728

NS(=O)(=O)c1ccccc1Cc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
HSD17B10 Q99714 1/20 0.52
DDAH1 O94760 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
EGFR P00533 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ERBB2 P04626 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
F7 P08709 1/20 0.45
KRAS P01116 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
CHRM1 P11229 1/20 0.44

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
SCHEMBL8562610 0.81 NUDT1 (0.43) GAALMNAPKMMAPTHTT
SCHEMBL2177550 0.80 GAA (0.60) GAALMNAPKMMAPTHTT
SCHEMBL29822675 0.80 GAA (0.60) GAALMNAPKMMAPTHTT
SCHEMBL6887750 0.77 GAA (0.73) GAALMNAPKMMAPTHTT
SCHEMBL9671638 0.77 HSD17B10 (0.66) GAALMNAPKMHSD17B10POLB
SCHEMBL230024 0.76 GAA (0.78) GAALMNAPKMMAPTHTT
SCHEMBL7080316 0.74 GAA (0.53) GAALMNAPKMMAPTHTT
SCHEMBL28644823 0.74 RAB9A (0.68) GAALMNAPKMMAPTHTT
SCHEMBL2177536 0.74 LMNA (0.64) GAALMNAPKMMAPTHTT
SCHEMBL29725701 0.74 RAB9A (0.68) GAALMNAPKMMAPTHTT

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-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed