SCHEMBL8200767

SCHEMBL8200767

CCCc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.48
MAPT P10636 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CXCR5 P32302 1/20 0.43
APLNR P35414 1/20 0.43
CCR6 P51684 1/20 0.43
GFER P55789 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
SLC2A1 P11166 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13555429 0.90 MAPT (0.49) POLBCYP1A2GAAPKMMAPT
SCHEMBL8701323 0.88 MAPT (0.48) POLBCYP1A2GAAPKMMAPT
SCHEMBL21280378 0.87 KCNH2 (0.49) POLBCYP1A2GAAPKMMAPT
SCHEMBL19122581 0.87 KCNH2 (0.49) POLBCYP1A2GAAPKMMAPT
SCHEMBL5380629 0.85 CYP1A2 (0.47) POLBCYP1A2GAAPKMMAPT
SCHEMBL28062194 0.82 POLB (0.46) POLBCYP1A2GAAPKMMAPT
SCHEMBL14658480 0.82 TSHR (0.55) POLBCYP1A2GAAPKMMAPT
SCHEMBL1929601 0.82 ADRA2A (0.46) POLBCYP1A2GAAPKMMAPT
SCHEMBL13020594 0.81 CYP2C19 (0.47) POLBCYP1A2GAAPKMMAPT
SCHEMBL18399532 0.81 POLB (0.46) POLBCYP1A2GAAPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9804168-B2 Biomarker discovery in complex biological fluid using bead or particle based libraries and diagnostic kits and therapeutics OPKO PHARMACEUTICALS, LLC (US) 2017-10-31 US disclosed
EP-2688911-B1 Biomarker discovery in complex biological fluid using bead or particle based libraries OPKO PHARMACEUTICALS LLC (US) 2017-08-02 EP disclosed
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 US disclosed
US-6080754-A Pyrrolo[2,1,5-cd]indolizine derivatives useful in the prevention or treatment of estrogen related diseases or syndromes NOVO NORDISK A/S (DK) 2000-06-27 US disclosed
EP-0988303-A1 PYRROLO 2,1,5-cd]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 2000-03-29 EP disclosed
WO-1998055483-A9 PYRROLO[2,1,5-cd]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2000-02-03 WO disclosed
WO-1998055483-A1 PYRROLO[2,1,5-cd]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-12-10 WO disclosed