SCHEMBL7721735

SCHEMBL7721735

CCCCCCOc1cc2c(cc1OC)nc(-c1ccccc1)n2-c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
CYP1A2 P05177 2/20 0.43
PDE10A Q9Y233 2/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
DHFR P00374 1/20 0.41
POLB P06746 1/20 0.40
NLRP3 Q96P20 1/20 0.40
TLR8 Q9NR97 2/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
EHMT2 Q96KQ7 3/20 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
SCHEMBL2331602 0.88 LTB4R (0.48) SIRT2SIRT1CYP1A2PDE10ASMN1; SMN2
SCHEMBL2329165 0.88 LTB4R (0.48) SIRT2SIRT1CYP1A2PDE10ASMN1; SMN2
SCHEMBL7721733 0.88 SIRT2 (0.47) SIRT2SIRT1TP53GAASMN1; SMN2
SCHEMBL2331912 0.87 ALDH1A1 (0.51) SIRT2SIRT1CYP1A2PDE10AGAA
SCHEMBL2328763 0.87 LTB4R (0.46) SIRT2SIRT1CYP1A2PDE10AALDH1A1
SCHEMBL2330681 0.87 LTB4R (0.46) SIRT2SIRT1CYP1A2PDE10AALDH1A1
SCHEMBL2323360 0.84 SIRT2 (0.42) SIRT2SIRT1CYP1A2PDE10ASMN1; SMN2
SCHEMBL7721711 0.81 LTB4R (0.41) SIRT2SIRT1CYP1A2PDE10ATP53
SCHEMBL7718961 0.78 ALDH1A1 (0.45) SIRT2SIRT1GAASMN1; SMN2ALDH1A1
SCHEMBL7719686 0.78 TLR8 (0.42) SIRT2SIRT1TP53LMNADHFR

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-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed