SCHEMBL7880703

SCHEMBL7880703

CC(C)(C)OC(=O)N(Cc1cccc(Nc2ncccc2N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
LMNA P02545 4/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
PKM P14618 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL7878634 0.87 BRD4 (0.46) BRD4LMNAMEN1KMT2AALDH1A1
SCHEMBL7880761 0.85 BRD4 (0.44) BRD4LMNAMEN1KMT2AALDH1A1
SCHEMBL7880521 0.84 MAPT (0.48) BRD4LMNAMEN1KMT2AALDH1A1
SCHEMBL7247305 0.77 GRM2 (0.43) GRM2
SCHEMBL6797225 0.77 SYK (0.47) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL7880700 0.75 LMNA (0.46) BRD4LMNAMEN1KMT2AALDH1A1
SCHEMBL7880733 0.75 FLT1 (0.41) BRD4MAPTNPC1RAB9AGRM2
SCHEMBL27530011 0.75 MEN1 (0.53) BRD4LMNAMEN1KMT2AALDH1A1
SCHEMBL6677790 0.74 ALDH1A1 (0.47) KMT2AALDH1A1POLBRAB9AGRM2
SCHEMBL7880695 0.74 CYP3A4 (0.41) BRD4GRM2CYP1A2CYP3A4BACE1

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
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed