SCHEMBL7500859

SCHEMBL7500859

[CH2]Nc1c(C(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 8/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
KCNMA1 Q12791 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
CTSD P07339 1/20 0.43

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
SCHEMBL2085072 0.86 TSHR (0.51) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15906692 0.85 TSHR (0.50) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL544031 0.84 KMT2A (0.53) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14249239 0.82 SMN1; SMN2 (0.49) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1421011 0.81 ATR (0.52) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30063181 0.81 ATR (0.52) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29959661 0.81 TSHR (0.70) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14933431 0.81 TSHR (0.56) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL307312 0.81 TSHR (0.70) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL195311 0.80 ALDH1A1 (0.62) TSHRSMN1; SMN2KMT2AALDH1A1MAPT

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
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed