SCHEMBL5532401

SCHEMBL5532401

Cc1ccnc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.49
PDE10A Q9Y233 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC22A12 Q96S37 1/20 0.43
LDHA P00338 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL27907482 0.86 MEN1 (0.54) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL28879008 0.82 TRPV1 (0.49) DHODHKMT2A
SCHEMBL645855 0.81 KDM4E (0.49) DHODHKMT2ALMNANAPRTP4HTM
SCHEMBL8548096 0.81 ADORA3 (0.58) MEN1KMT2ALMNACYP2C19CYP2D6
SCHEMBL28459405 0.80 KDM4E (0.50) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL9381024 0.79 DHODH (0.43) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL19138009 0.79 HTT (0.46) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL7863682 0.77 PDE10A (0.44) DHODHPDE10AMEN1KMT2ALDHA
SCHEMBL368305 0.76 DHODH (0.47) DHODHPDE10ATSHRLMNANAPRT
SCHEMBL353204 0.75 KDM4E (0.40) PDE10AKMT2ALMNANAPRTP4HTM

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-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO disclosed
US-4965272-A EUPOLAURIDINE AND NONTOXIC CARRIER UNIVERSITY OF MISSISSIPPI, THE 1990-10-23 US disclosed
US-4873250-A ONYCHINE THE UNIVERSITY OF MISSISSIPPI (US) 1989-10-10 US disclosed