SCHEMBL9381024

SCHEMBL9381024

CCc1ccnc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.43
PDE10A Q9Y233 2/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
LMNA P02545 4/20 0.41
ADORA3 P0DMS8 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL1533663 0.87 MEN1 (0.48) MEN1KMT2ASLC22A12LMNAADORA3
SCHEMBL2754303 0.86 BID (0.47) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL2858513 0.82 DHODH (0.44) DHODH
SCHEMBL5532401 0.79 DHODH (0.49) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL10422785 0.78 PDE10A (0.48) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL29986186 0.77 PTGS1 (0.46) SLC22A12LMNAL3MBTL1
SCHEMBL28459405 0.77 KDM4E (0.50) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL27543370 0.76 DHODH (0.40) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL19138009 0.76 HTT (0.46) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL27541388 0.75 KDM4E (0.44) DHODHSLC22A12LMNAADORA3NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619819-A1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1994-10-19 EP claimed