SCHEMBL2724947

SCHEMBL2724947

CC[N+](C)(CCN(C(N)=O)c1ccccc1Br)c1cccc(C)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.32
PARP1 P09874 1/20 0.31
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15253519 0.74 GFER (0.42) HPGD
SCHEMBL15310779 0.74 ALDH1A1 (0.45) HPGD
Iodide SCHEMBL31679067 0.69 RAB9A (0.40)
SCHEMBL10076569 0.68 ACHE (0.46) HPGDTDP1
SCHEMBL14577832 0.61 ALDH1A1 (0.55) PARP1HPGDTDP1
SCHEMBL20266342 0.60 TP53 (0.52) ESR1
SCHEMBL25751661 0.60 POLQ (0.51) PARP1HPGDTDP1
SCHEMBL27515970 0.60 PTK2 (0.36) ESR1
SCHEMBL28048251 0.60 ESR1 (0.45) ESR1HPGD
SCHEMBL11651430 0.59 RAB9A (0.63) PARP1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3393462-B1 COMPOSITIONS AND METHODS FOR TREATMENT, AMELIORATION, AND PREVENTION OF ANESTHESIA-INDUCED HYPOTHERMIA UNIV ARIZONA (US) 2023-02-01 EP claimed
US-20130274271-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENTOF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII (US) 2013-10-17 US claimed
US-20240189303-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII 2024-06-13 US disclosed
US-20190192508-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIV HAWAII (US) 2019-06-27 US disclosed
US-10137123-B2 Methods and compositions for prevention and treatment of cardiac hypertrophy UNIVERSITY OF HAWAII (US) 2018-11-27 US disclosed
US-20170231982-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII 2017-08-17 US disclosed
US-20150352105-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-12-10 US disclosed
US-9084786-B2 Methods and compositions for prevention and treatmentof cardiac hypertrophy UNIVERSITY OF HAWAII (US) 2015-07-21 US disclosed
US-20130274271-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENTOF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII (US) 2013-10-17 US disclosed
EP-2635281-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY University Of Hawaii (US) 2013-09-11 EP disclosed
WO-2012061505-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII (US) 2012-05-10 WO disclosed