SCHEMBL7377607

SCHEMBL7377607

CCCC(=O)c1cccn2nc(C(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.40
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
PDE5A O76074 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE4A P27815 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 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
SCHEMBL10359945 0.80 PDE4B (0.50) MIFALDH1A1TSHRCYP2C19MEN1
SCHEMBL2961374 0.72 KMT2A (0.38) MIFALDH1A1TSHRCYP2C19MEN1
SCHEMBL2963981 0.71 KDM4E (0.36) MIFALDH1A1MEN1KMT2ALMNA
SCHEMBL2963896 0.70 HSP90AB1 (0.35) MIFALDH1A1TSHRCYP2C19MEN1
SCHEMBL4340673 0.70 MIF (0.74) MIFALDH1A1TSHRCYP2C19MEN1
SCHEMBL11662894 0.70 PDE5A (0.36) MIFALDH1A1TSHRCYP2C19MEN1
SCHEMBL7380320 0.68 ALDH1A1 (0.36) MIFALDH1A1TSHRCYP2C19MEN1
SCHEMBL1984108 0.68 HPGD (0.46) ALDH1A1TSHRMEN1CYP1A2CYP3A4
SCHEMBL7374036 0.67 KDM4E (0.37) MIFALDH1A1MEN1KMT2ANPSR1
SCHEMBL13266060 0.67 PARP1 (0.33) MIFMEN1KMT2APDE4BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368343-A2 Ameliorating composition for dysmnesia KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-16 EP disclosed