SCHEMBL10507166

SCHEMBL10507166

CCCc1c2oc(OC(=O)O)cc(=O)c2cc2c(=O)ccn(Cc3ccccc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
PDE5A O76074 4/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 1/20 0.33
MAPK14 Q16539 1/20 0.33
NOTUM Q6P988 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
TBXAS1 P24557 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32

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
SCHEMBL10506342 0.90 PDE5A (0.35) PDE5AMEN1KMT2AHPGDPPARG
SCHEMBL10506065 0.86 PDE5A (0.44) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL10507784 0.84 MAOB (0.43) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL10506947 0.83 CYSLTR2 (0.42) HTTSMN1; SMN2KDM4ETP53CYP2D6
SCHEMBL9204366 0.77 PDE5A (0.33) PDE5AMEN1KMT2AHPGDPPARG
SCHEMBL10504963 0.77 PDE5A (0.46) KDM4EPDE5AMEN1KMT2AHPGD
SCHEMBL10509864 0.73 PDE5A (0.39) KDM4EPDE5AMEN1KMT2AHPGD
SCHEMBL10507930 0.73 CYSLTR2 (0.44) KDM4EPDE5AMEN1KMT2AHPGD
SCHEMBL10506675 0.72 PDE5A (0.36) KDM4EPDE5AMEN1KMT2AHPGD
SCHEMBL10505286 0.72 KDM4E (0.47) HTTSMN1; SMN2KDM4ETP53CYP2D6

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-0150966-B1 BENZOPYRAN DERIVATIVES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION FISONS plc (GB) 1989-07-12 EP claimed