SCHEMBL7804489

SCHEMBL7804489

O=C1NCC(Cc2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
POLB P06746 1/20 0.41
TBXA2R P21731 1/20 0.39
PKM P14618 1/20 0.39
KCNJ1 P48048 2/20 0.39
KCNH2 Q12809 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 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
SCHEMBL11741957 0.78 LMNA (0.47) USP2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL8067542 0.78 LMNA (0.47) USP2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL2318768 0.78 LMNA (0.65) USP2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL1268961 0.78 LMNA (0.65) USP2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL5409561 0.78 LMNA (0.65) USP2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL14167936 0.77 PRMT5 (0.49) USP2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL9060321 0.76 LMNA (0.63) USP2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL5093206 0.76 LOXL2 (0.50) ALDH1A1LMNATSHRKMT2ALOXL2
SCHEMBL11743526 0.76 LMNA (0.44) USP2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL11745695 0.75 LMNA (0.47) USP2ALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636623-B1 Indole derivatives as 5-HT1- like agonists ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-6103752-A PHTHALIMIDE DERIVATIVE AS HT3 RECEPTOR ANTAGONIST GLAXO WELLCOME INC. (US) 2000-08-15 US disclosed
US-5922748-A TREATMENT OF HEADACHES AND MIGRAINES GLAXO WELLCOME INC. (US) 1999-07-13 US disclosed
US-5863935-A SYNTHESIS OF INDOLE DERIVATIVES OF HETEROCYCLIC COMPOUNDS FOR TREATMENT OF HEADACHES AND MIGRAINES ZENECA LIMITED (GB) 1999-01-26 US disclosed
US-5744466-A ANTISEROTONIN AGENT THE WELLCOME FOUNDATION LIMITED (GB) 1998-04-28 US disclosed
CN-1143960-A Therapeutic heterocyclic compounds WELLCOME FOUND (GB) 1997-02-26 CN disclosed
EP-0741725-A1 INDOLE DERIVATIVES AS 5-HT 1? AGONISTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-11-13 EP disclosed
US-5466699-A Indolyl compounds for treating migraine BURROUGHS WELLCOME CO. (US) 1995-11-14 US disclosed
WO-1995020588-A1 INDOLE DERIVATIVES AS 5-HT1 AGONISTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-03 WO disclosed
US-5399574-A 5-hydroxytryptamine agonists; vasoconstrictors BURROUGHS WELLCOME CO. (US) 1995-03-21 US disclosed
EP-0636623-A1 Indole derivatives as 5-HT1- like agonists THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-01 EP disclosed
EP-0486666-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS. WELLCOME FOUND (GB) 1992-05-27 EP disclosed
WO-1991018897-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-12 WO disclosed