SCHEMBL7974043

SCHEMBL7974043

Oc1nc(-c2cccnc2)nc2ncn(CCCc3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDE5A O76074 2/20 0.40
CNOT7 Q9UIV1 1/20 0.40
DHPS P49366 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7986327 0.94 NPC1 (0.43) GBA1NPC1RAB9APDE5ACNOT7
SCHEMBL7984242 0.90 CNOT7 (0.45) CNOT7TSHRKDM4EALDH1A1LMNA
SCHEMBL7991652 0.88 CNOT7 (0.42) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7974286 0.87 DHPS (0.49) GBA1NPC1RAB9APDE5ACNOT7
SCHEMBL7992303 0.84 CNOT7 (0.40) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7974615 0.83 ADORA2A (0.44) CNOT7ALDH1A1HTT
SCHEMBL7985603 0.83 CNOT7 (0.41) CNOT7TSHRKDM4ELMNAPOLB
SCHEMBL7984490 0.83 CNOT7 (0.41) CNOT7TSHRKDM4EALDH1A1LMNA
SCHEMBL7986355 0.82 SIGMAR1 (0.42) CNOT7TSHRKDM4EALDH1A1LMNA
SCHEMBL7974291 0.82 CNOT7 (0.39) CNOT7TSHRKDM4ELMNAPOLB

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