SCHEMBL6998546

SCHEMBL6998546

COc1nn(C(C)CCCc2ccccc2)c(NC(=O)Cc2ccccc2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS27 P42677 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL6992801 0.79 TSHR (0.40) RPS27ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6997684 0.71 TSHR (0.37) RPS27TSHR
SCHEMBL7460074 0.68 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL6992460 0.68 PDE4A (0.35) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL27468086 0.65 GAA (0.52) RPS27ALDH1A1MEN1KMT2ALMNA
SCHEMBL6993028 0.64 PDE2A (0.47) ALDH1A1KMT2AKDM4E
SCHEMBL7019913 0.62 MAPK8 (0.45) RPS27MAPK8MAPK9ALDH1A1MEN1
SCHEMBL7843449 0.61 PDE4A (0.40) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7511580 0.61 LMNA (0.42) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7094630 0.61 ANPEP (0.46) KMT2ALMNA

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
EP-0973774-B1 1,5-DIHYDRO-PYRAZOLO 3,4-D]-PYRIMIDINONE DERIVATIVES BAYER AG (DE) 2003-01-22 EP disclosed
US-6174884-B1 CARDIOVASCULAR DISORDERS; CEREBROVASCULAR DISEASES; VASCULAR SYSTEM DISORDERS, ESPECIALLY THE PERIPHERAL BLOOD VESSELS; UROGENITAL DISORDERS; HYPOTENSIVE AGENTS; ANTIARRYTHMIA AND -ISCHEMIC AGENTS; PHOSPHODIESTERASE ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed