SCHEMBL7968898

SCHEMBL7968898

CC(c1cc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
HRH4 Q9H3N8 1/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
MAOB P27338 1/20 0.43
NOS1 P29475 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
RIPK1 Q13546 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL1465120 0.85 CYP19A1 (0.54) CYP19A1HRH4POLBMAPTMAOB
SCHEMBL31735948 0.85 CYP19A1 (0.54) CYP19A1HRH4POLBMAPTMAOB
SCHEMBL3962934 0.80 CYP19A1 (0.49) CYP19A1HRH4POLBMAPTMAOB
SCHEMBL12824816 0.80 CYP19A1 (0.49) CYP19A1HRH4POLBMAPTMAOB
SCHEMBL1465991 0.79 CYP19A1 (0.48) CYP19A1HRH4POLBMAPTMAOB
SCHEMBL12825163 0.79 CYP19A1 (0.51) CYP19A1HRH4POLBMAPTMAOB
SCHEMBL1465132 0.77 CYP19A1 (0.44) CYP19A1HRH4POLBMAPTMAOB
SCHEMBL6609186 0.74 CYP2A6 (0.51) HRH4MAPTALDH1A1MEN1KMT2A
SCHEMBL22529388 0.74 CYP19A1 (0.42) CYP19A1HRH4POLBNOS1MEN1
SCHEMBL1465403 0.74 CYP19A1 (0.45) CYP19A1HRH4POLBMAPTCRHBP

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-6242470-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION ASTRAZENECA AB (SE) 2001-06-05 US disclosed