SCHEMBL6846642

SCHEMBL6846642

CCCc1cc([N+](=O)[O-])cc[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESPL1 Q14674 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.39
TSHR P16473 5/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.37
NPBWR1 P48145 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL695579 0.86 POLB (0.42) ESPL1MAPTTSHRLMNAALDH1A1
SCHEMBL11844176 0.75 TSHR (0.40) ESPL1KDM4EMAPTTSHRLMNA
SCHEMBL3213413 0.75 MAPT (0.49) ESPL1MAPTTSHRLMNAALDH1A1
SCHEMBL29187025 0.74 TDP1 (0.45) MAPTLMNAALDH1A1TDP1POLB
SCHEMBL345760 0.73 HSD17B10 (0.48) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL31536932 0.73 HSD17B10 (0.48) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL351824 0.73 TSHR (0.48) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL30945319 0.73 TSHR (0.48) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL2227750 0.72 TSHR (0.48) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL11611414 0.72 POLB (0.46) ESPL1KDM4EMAPTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986560-B1 PYRROLO 2,1,5-CD]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES KAROBIO AB (SE) 2004-03-24 EP 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
US-6075036-A Pyrrolo [2,1,5-cd] indolizine derivatives useful in the prevention or treatment of estrogen related diseases or syndromes NOVO NORDISK (DK) 2000-06-13 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
EP-0986560-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) 2000-03-22 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
WO-1998055482-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