SCHEMBL7987245

SCHEMBL7987245

COc1ccc(Cn2cnc(N)c2C(N)=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
QPCT Q16769 2/20 0.47
QPCTL Q9NXS2 2/20 0.47
MAPK10 P53779 1/20 0.45
CSF1R P07333 1/20 0.43
FYN P06241 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LDHA P00338 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHFR P00374 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHEK1 O14757 1/20 0.42
CHEK2 O96017 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL7987927 0.87 HSP90AA1 (0.53) FYNALDH1A1DHFRSMN1; SMN2
SCHEMBL7987441 0.84 MEN1 (0.49) ROCK2QPCTQPCTLALDH1A1L3MBTL1
SCHEMBL7984239 0.82 ADRA1D (0.52) ROCK2QPCTQPCTLLMNA
SCHEMBL7985508 0.80 ALDH1A1 (0.43) ROCK2QPCTQPCTLMAPK10ALDH1A1
SCHEMBL7988530 0.80 SMN1; SMN2 (0.46) ALDH1A1HTTLMNASMN1; SMN2HDAC3
SCHEMBL7985129 0.80 YTHDC1 (0.50) LMNA
SCHEMBL7987743 0.78 SCD (0.50) HTTLMNASMN1; SMN2HDAC4HDAC1
SCHEMBL7975372 0.78 ALDH1A1 (0.51) ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL7987490 0.78 ADORA2A (0.44) ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL7989347 0.77 CYP11B1 (0.44) ALDH1A1LMNAHDAC3HDAC4HDAC1

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