SCHEMBL6579876

SCHEMBL6579876

O=C(O)c1nnnn1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.47
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2C P28335 1/20 0.42
CTRB1 P17538 1/20 0.42

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
SCHEMBL6579568 0.87 P2RX4 (0.50) P2RX4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20154173 0.82 ALDH1A1 (0.47) P2RX4P2RX1P2RX3ALDH1A1KMT2A
SCHEMBL24704613 0.79 ATM (0.46) P2RX4P2RX1P2RX3ALDH1A1KMT2A
SCHEMBL5662395 0.78 DAGLA (0.49) P2RX4P2RX1P2RX3ALDH1A1KMT2A
SCHEMBL6582834 0.78 MAPK1 (0.44) ALDH1A1NPSR1CYP2C19CYP2C9NPC1
SCHEMBL14822692 0.73 TDP1 (0.50) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL20154211 0.73 ALDH1A1 (0.47) P2RX4P2RX1P2RX3ALDH1A1KMT2A
SCHEMBL2495018 0.73 GAA (0.55) P2RX4P2RX1P2RX3KMT2ANPSR1
SCHEMBL20223317 0.71 KDM4C (0.56) ALDH1A1KMT2AMEN1CYP2C19CYP1A2
SCHEMBL16249204 0.71 TDP1 (0.47) ALDH1A1KMT2ACYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed