SCHEMBL2724952

SCHEMBL2724952

CCCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 6/20 0.42
HTT P42858 5/20 0.42
MEN1 O00255 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.38
GPX4 P36969 1/20 0.38

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
Iodide SCHEMBL16906337 0.99 GFER (0.44) GFERNPSR1KMT2AHTTMEN1
SCHEMBL6732278 0.92 GFER (0.53) GFERNPSR1KMT2AHTTMEN1
SCHEMBL31679065 0.92 GFER (0.53) GFERNPSR1KMT2AHTTMEN1
SCHEMBL2723746 0.87 MTNR1A (0.50) GFERKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2727185 0.83 RAB9A (0.42) NPSR1KMT2AHTTMEN1SMN1; SMN2
SCHEMBL15313243 0.83 MAPT (0.49) GFERKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2724077 0.81 MTNR1A (0.47) GFERKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2724960 0.81 KMT2A (0.51) GFERKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2725194 0.81 GFER (0.54) GFERKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2723101 0.80 KMT2A (0.64) GFERNPSR1KMT2AHTTMEN1

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