SCHEMBL8961733

SCHEMBL8961733

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.66
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
KCNMA1 Q12791 4/20 0.55
ALDH1A1 P00352 3/20 0.55
CDC25B P30305 1/20 0.53
TSHR P16473 1/20 0.51
NPC1 O15118 2/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PTGFR P43088 1/20 0.50
GLA P06280 1/20 0.50
CASP3 P42574 1/20 0.50
HTT P42858 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL6968458 1.00 HCAR3 (0.66) HCAR3MEN1KMT2APOLBKCNMA1
SCHEMBL6963217 0.86 KMT2A (0.64) HCAR3MEN1KMT2APOLBKCNMA1
SCHEMBL6968515 0.81 PYGL (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2772166 0.80 TSHR (0.65) HCAR3MEN1KMT2APOLBALDH1A1
SCHEMBL5696841 0.78 TSHR (0.65) HCAR3MEN1KMT2APOLBALDH1A1
SCHEMBL14380933 0.76 ALDH1A1 (0.53) HCAR3MEN1KMT2AKCNMA1ALDH1A1
SCHEMBL3613079 0.75 HCAR3 (0.72) HCAR3MEN1KMT2ATSHRMAPT
SCHEMBL2466950 0.74 ABCB1 (0.52) HCAR3MEN1KMT2APOLBKCNMA1
SCHEMBL19291300 0.74 HCAR3 (0.70) HCAR3MEN1KMT2APOLBALDH1A1
SCHEMBL6555690 0.73 POLB (0.59) HCAR3POLBALDH1A1CDC25BTSHR

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-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed