SCHEMBL5190656

SCHEMBL5190656

COc1ccc(CN2CCN(C(=O)NC3CCCCC3)CC2CC(N)=O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.48
EPHX1 P07099 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5190760 0.93 ALDH1A1 (0.49) KMT2AALDH1A1MAPK1MEN1EPHX1
SCHEMBL5213600 0.81 ALDH1A1 (0.51) KMT2AALDH1A1MEN1EPHX1POLB
SCHEMBL5192869 0.77 OPRK1 (0.46) KMT2AMAPK1MEN1TDP1L3MBTL1
SCHEMBL5278583 0.76 LMNA (0.44) ALDH1A1MAPK1POLBKDM4ENPC1
SCHEMBL5191068 0.76 LMNA (0.44) KMT2AALDH1A1MAPK1MEN1POLB
SCHEMBL7543076 0.74 KMT2A (0.46) KMT2AALDH1A1MEN1EPHX1TDP1
SCHEMBL7541937 0.74 KMT2A (0.46) KMT2AALDH1A1MEN1EPHX1TDP1
SCHEMBL7543080 0.74 KMT2A (0.46) KMT2AALDH1A1MEN1EPHX1TDP1
SCHEMBL7541940 0.74 KMT2A (0.46) KMT2AALDH1A1MEN1EPHX1TDP1
SCHEMBL5193442 0.73 MAPT (0.55) KMT2AMEN1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed