SCHEMBL5231071

SCHEMBL5231071

CCc1cccc(C(=O)Cc2ccc(F)c3ccccc23)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER1 P34995 6/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
TBXA2R P21731 2/20 0.35
PTGS1 P23219 2/20 0.35
CYP2C19 P33261 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
FFAR1 O14842 1/20 0.35
BRD4 O60885 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL5237005 0.84 P2RX7 (0.43) MEN1KMT2AFFAR1TDP1LMNA
SCHEMBL5234356 0.80 CYP1A2 (0.47) MEN1KMT2ACYP1A2LMNAHPGD
SCHEMBL29959944 0.80 CYP1A2 (0.47) MEN1KMT2ACYP1A2LMNAHPGD
SCHEMBL5238450 0.74 LMNA (0.47) PTGER1BRD4TDP1LMNAMAPT
SCHEMBL8429673 0.72 DAO (0.46) FFAR1LMNAMAPTHPGDHTT
SCHEMBL5239308 0.71 FFAR1 (0.41) MEN1KMT2AFFAR1TDP1LMNA
SCHEMBL979568 0.70 KDM4E (0.61) PTGER1CYP1A2BRD4TDP1LMNA
SCHEMBL11462750 0.70 KDM4E (0.46) MEN1KMT2AFFAR1TDP1LMNA
SCHEMBL5237932 0.70 CYP1A2 (0.48) MEN1KMT2ACYP1A2HPGDADORA2A
SCHEMBL5267623 0.70 MRGPRX4 (0.37) PTGER1CYP1A2CYP2C9MAPT

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-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed