SCHEMBL9288787

SCHEMBL9288787

Cc1nn2c(CO)cccc2c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AGTR1 P30556 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
ALKBH1 Q13686 1/20 0.34
ELANE P08246 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
LMNA P02545 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
SCHEMBL7300327 0.81 POLB (0.43) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL1290821 0.70 NR4A3 (0.42) POLBAGTR1GAATDP1L3MBTL1
SCHEMBL16447824 0.70 PTGER1 (0.41) POLBKDM4EMAPTALKBH1
SCHEMBL951965 0.68 MEN1 (0.51) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL20669578 0.67 DYRK1A (0.43) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL20345576 0.67 SLC22A12 (0.39) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL23938202 0.66 CYP1A2 (0.35) MEN1KMT2ACYP1A2CYP2C19ELANE
SCHEMBL7303942 0.66 PDE4D (0.51) MEN1KMT2ACYP1A2GAAKDM4E
SCHEMBL18024814 0.64 POLB (0.36) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL1290672 0.63 KDM4E (0.41) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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
WO-2012072512-A1 N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-07 WO disclosed
WO-2012045729-A1 IMIDAZO [1, 2 -A] PYRIDINE AND PYRAZOLO [1, 5 -A] PYRIDINE DERIVATIVES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-12 WO disclosed