SCHEMBL7471952

SCHEMBL7471952

COc1cc(NC(=O)c2ccc3[nH]c(-c4cc(NC=O)cn4C)nc3c2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
HPSE Q9Y251 5/20 0.42
MAOB P27338 3/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
PRNP P04156 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.40
FOXO1 Q12778 1/20 0.40
NAMPT P43490 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL7465986 0.84 KMT2A (0.50) KMT2AHPSEMAOBTP53USP2
Hydrochloric Acid SCHEMBL7467353 0.75 MAPT (0.53) MAPK1MAPT
Hydrochloric Acid SCHEMBL7471438 0.75 KDM4E (0.45) L3MBTL1NAMPT
SCHEMBL7466190 0.71 EGFR (0.43) KMT2ATP53MAPT
SCHEMBL14542954 0.70 MAPT (0.44) KMT2AHPSEUSP2ATMMAPK1
SCHEMBL7472023 0.70 HRAS (0.51) KMT2AHPSEMAPK1MAPT
SCHEMBL8603119 0.70 SPHK2 (0.42)
Hydrochloric Acid SCHEMBL7469233 0.70 MAPT (0.50) KMT2AHPSEATMMAPK1MAPT
SCHEMBL31612382 0.69 ATM (0.61) KMT2AHPSEMAOBTP53ATM
SCHEMBL5561204 0.69 RHEB (0.41) KMT2ATP53ATMMAPK1L3MBTL1

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-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed