SCHEMBL7880700

SCHEMBL7880700

CC(C)(C)OC(=O)C(N)(C(=O)OC(C)(C)C)c1cccc(Nc2ncccc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 2/20 0.46
GMNN O75496 1/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
UGT1A1 P22309 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PMP22 Q01453 1/20 0.46
DHODH Q02127 1/20 0.46
TEAD4 Q15561 1/20 0.46
HIF1A Q16665 1/20 0.46
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL7878632 0.87 LMNA (0.47) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL7880759 0.84 LMNA (0.42) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL7880703 0.75 BRD4 (0.44) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL7878585 0.75 TSHR (0.42) LMNAPOLBALDH1A1CYP1A2CYP3A4
SCHEMBL6799074 0.74 LMNA (0.66) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL20721722 0.74 CA12 (0.51) MEN1KMT2AALDH1A1HTTMAPK1
SCHEMBL30419946 0.74 CA12 (0.51) MEN1KMT2AALDH1A1HTTMAPK1
SCHEMBL3618566 0.73 KCNN4 (0.39) MEN1KMT2AALDH1A1CYP3A4PTGS1
SCHEMBL6797385 0.72 ROCK1 (0.60) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL6793593 0.72 ABCG2 (0.57) LMNAPOLBMEN1KMT2AALDH1A1

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