SCHEMBL1497374

SCHEMBL1497374

O=C(O)N1CCN(Cc2cc(Cl)nc(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ATM Q13315 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.44
FAAH O00519 2/20 0.43

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
SCHEMBL21792658 0.86 KMT2A (0.63) ALDH1A1KMT2AMEN1ATMLMNA
SCHEMBL2932454 0.83 L3MBTL1 (0.54) KDM4EALDH1A1KMT2AMEN1ATM
SCHEMBL2396520 0.79 VEGFA (0.50) KMT2AMEN1ATMMAPTPOLB
SCHEMBL13150240 0.79 KMT2A (0.52) KDM4EALDH1A1KMT2AMEN1ATM
SCHEMBL20570029 0.78 ATM (0.47) KDM4EALDH1A1KMT2AMEN1ATM
SCHEMBL31277423 0.78 HRH3 (0.56) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL2931705 0.78 AKR1C3 (0.65) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL5571317 0.78 LMNA (0.46) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL23617943 0.78 KMT2A (0.58) KDM4EALDH1A1KMT2AMEN1ATM
SCHEMBL2850013 0.78 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AMEN1LMNA

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-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed