SCHEMBL7988802

SCHEMBL7988802

Oc1nc(-c2ccccn2)nc2ncn(CCCc3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CNOT7 Q9UIV1 2/20 0.42
TSHR P16473 2/20 0.41
CES1 P23141 2/20 0.40
FAAH O00519 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
METAP1 P53582 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
JAK2 O60674 1/20 0.39
PPP1CA P62136 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 2/20 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
SCHEMBL7985288 0.93 NPC1 (0.41) NPC1RAB9ASMN1; SMN2CNOT7TSHR
SCHEMBL7984242 0.86 CNOT7 (0.45) CNOT7TSHRKDM4EPOLBLMNA
SCHEMBL7985492 0.86 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2CNOT7KDM4E
SCHEMBL7991652 0.84 CNOT7 (0.42) CNOT7TSHRKDM4EPOLBLMNA
SCHEMBL7984465 0.83 CNOT7 (0.41) CNOT7TSHRFAAHKDM4EPOLB
SCHEMBL7974043 0.81 GBA1 (0.43) NPC1RAB9ACNOT7TSHRKDM4E
SCHEMBL7985603 0.81 CNOT7 (0.41) CNOT7TSHRFAAHKDM4EPOLB
SCHEMBL7984490 0.81 CNOT7 (0.41) CNOT7TSHRFAAHKDM4EPOLB
SCHEMBL7992303 0.80 CNOT7 (0.40) CNOT7TSHRFAAHKDM4EPOLB
SCHEMBL7986355 0.78 SIGMAR1 (0.42) CNOT7TSHRFAAHKDM4EPOLB

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