SCHEMBL7093885

SCHEMBL7093885

Cc1c([N+](=O)[O-])ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
DTYMK P23919 1/20 0.47
CASP6 P55212 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CDC25B P30305 1/20 0.41
POLB P06746 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL787115 1.00 TSHR (0.62) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL12494511 0.88 TSHR (0.57) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL28308570 0.88 TSHR (0.53) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL27448270 0.86 TSHR (0.62) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL6304256 0.85 TSHR (0.71) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL30527937 0.84 TSHR (0.64) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL1585078 0.84 TDP1 (0.64) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL28842429 0.84 TSHR (0.69) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL28461063 0.84 TSHR (0.64) TSHRTDP1L3MBTL1DTYMKCASP6
SCHEMBL28162054 0.84 TSHR (0.69) TSHRTDP1L3MBTL1DTYMKCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763026-B1 GASTRIN AND CCK ANTAGONISTS BLACK JAMES FOUNDATION (GB) 2003-03-26 EP disclosed
US-5912260-A GASTRIC ACID SECRETION JAMES BLACK FOUNDATION LIMITED (GB) 1999-06-15 US disclosed
EP-0763026-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1997-03-19 EP disclosed
WO-1995032949-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-12-07 WO disclosed