SCHEMBL5555860

SCHEMBL5555860

c1ccc(COc2ccc(CNC3CC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.65
KDM1A O60341 2/20 0.63
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
RAB9A P51151 1/20 0.58
FOXM1 Q08050 1/20 0.57
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GRIN2B Q13224 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL11477736 0.94 FOXM1 (0.65) BCHEKDM1AKMT2AMEN1RAB9A
SCHEMBL32677549 0.90 CYP2C9 (0.64) BCHEKDM1AKMT2AMEN1RAB9A
SCHEMBL7219006 0.86 MEN1 (0.75) BCHEKMT2AMEN1RAB9AKDM4E
Carbamic Acid SCHEMBL5481170 0.86 KDM4E (0.65) BCHEKDM1AKMT2AMEN1RAB9A
SCHEMBL18952101 0.84 BCHE (0.61) BCHEKMT2AMEN1FOXM1KDM4E
SCHEMBL6701121 0.82 KDM1A (0.46) BCHEKDM1AKMT2AMEN1RAB9A
SCHEMBL6268294 0.82 KDM1A (0.46) BCHEKDM1AKMT2AMEN1RAB9A
SCHEMBL6268288 0.82 KDM1A (0.46) BCHEKDM1AKMT2AMEN1RAB9A
SCHEMBL663239 0.82 GRIN2B (0.74) BCHEKMT2AMEN1RAB9AGRIN2B
Hydrochloric Acid SCHEMBL2550113 0.80 MEN1 (0.78) BCHEKMT2AMEN1RAB9AGRIN2B

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-1761509-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-14 EP disclosed
WO-2005111002-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed