SCHEMBL8697240

SCHEMBL8697240

Cc1cc(C)cc(-c2[c]c3cc([N+](=O)[O-])ccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
NPBWR1 P48145 3/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2072913 0.79 GRIA1 (0.49) TSHRGRIA1GRIA2GRIA3GRIA4
SCHEMBL10492182 0.74 GRIA1 (0.46) TSHRGRIA1GRIA2GRIA3GRIA4
SCHEMBL7912335 0.71 CYP19A1 (0.69) TSHRGRIA1GRIA2GRIA3GRIA4
SCHEMBL8409596 0.70 ALDH1A1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8409653 0.69 CACNA1C (0.47) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL27868663 0.69 TUBB4A (0.43) TSHRGRIA1GRIA2GRIA3GRIA4
SCHEMBL8595591 0.67 CTSV (0.46) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL30917347 0.66 CYP19A1 (0.60) TSHRGRIA1GRIA2GRIA3GRIA4
SCHEMBL317330 0.66 CYP19A1 (0.60) TSHRGRIA1GRIA2GRIA3GRIA4
SCHEMBL12722533 0.65 MAPT (0.59) TSHRGRIA1GRIA2GRIA3GRIA4

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-5780437-A ADMINISTERING TO TREAT SEX-HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-07-14 US disclosed