SCHEMBL7987628

SCHEMBL7987628

Oc1nc(-c2cccc(Cl)c2)nc2ncn(CCCc3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CNOT7 Q9UIV1 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSL P07711 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ADORA2B P29275 1/20 0.36
ADRA1D P25100 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL7988551 0.94 ADORA3 (0.43) PDE4BADORA3ADORA2AADORA1CNOT7
SCHEMBL7992303 0.89 CNOT7 (0.40) ADORA3ADORA2AADORA1CNOT7TSHR
SCHEMBL7984242 0.89 CNOT7 (0.45) ADORA3ADORA2AADORA1CNOT7TSHR
SCHEMBL7974012 0.88 ALDH1A1 (0.41) ADORA3ADORA2AKMT2AKDM4EALDH1A1
SCHEMBL7974291 0.88 CNOT7 (0.39) ADORA2AADORA1CNOT7TSHRKDM4E
SCHEMBL7986355 0.88 SIGMAR1 (0.42) ADORA3ADORA2AADORA1CNOT7TSHR
SCHEMBL7984897 0.85 GAA (0.46) ADORA2AADORA1TSHRMEN1KMT2A
SCHEMBL7973626 0.84 SMN1; SMN2 (0.45) ADORA2AADORA1KDM4EMAPK1
SCHEMBL7988668 0.83 SMN1; SMN2 (0.44) ADORA3ADORA2ASIGMAR1MAPK1ALDH1A1
SCHEMBL7984406 0.83 CASR (0.43) ADORA3ADORA2AADORA1CNOT7ALDH1A1

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed