SCHEMBL6173067

SCHEMBL6173067

COc1ccc(-c2c(C)nn(-c3c[c]ccc3)c2C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 7/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CRHR1 P34998 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
HPGDS O60760 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 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
SCHEMBL6170104 0.84 NPC1 (0.54) SMN1; SMN2MAPTKDM4EPDE4DALDH1A1
SCHEMBL6177322 0.81 CYP1A2 (0.42) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL6177927 0.76 HPGD (0.42) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL6097890 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKDM4ELMNATP53
SCHEMBL6099027 0.73 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLMNATP53CRHR1
SCHEMBL6096532 0.73 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ECRHR1ALDH1A1
SCHEMBL28834473 0.70 MEN1 (0.43) SMN1; SMN2MAPTKDM4ELMNAPDE4D
SCHEMBL2753561 0.70 ALDH1A1 (0.47) SMN1; SMN2MAPTKDM4ELMNAPDE4A
SCHEMBL6096679 0.68 SMN1; SMN2 (0.47) SMN1; SMN2CRHR1PDE4DPOLB
SCHEMBL16872802 0.67 SMN1; SMN2 (0.58) SMN1; SMN2MAPTKDM4ELMNATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP claimed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO claimed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed