SCHEMBL2733239

SCHEMBL2733239

Cc1cccc(NCCNC(=O)Nc2ccccc2Br)c1.Cc1cccc(NCCNC(=O)Nc2ccccc2Br)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
ITGB3 P05106 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
SCHEMBL9942096 0.92 RAB9A (0.55) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL2723359 0.90 ITGB3 (0.50) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL2733236 0.82 MAPT (0.42) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL31679065 0.72 GFER (0.53) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL6732278 0.72 GFER (0.53) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL2724952 0.71 GFER (0.44) RAB9ASMN1; SMN2NPC1HTTMAPT
Iodide SCHEMBL16906337 0.70 GFER (0.44) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL4893846 0.70 KMT2A (0.55) RAB9ANPC1HTTMAPTKMT2A
SCHEMBL2727185 0.70 RAB9A (0.42) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL2723746 0.69 MTNR1A (0.50) RAB9ASMN1; SMN2NPC1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635281-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY University Of Hawaii (US) 2013-09-11 EP claimed
WO-2012061505-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII (US) 2012-05-10 WO claimed