SCHEMBL7422778

SCHEMBL7422778

COC(=O)CCc1cc2ccc(C(=O)OC)cc2n1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
LCK P06239 1/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL7421832 0.93 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL7474444 0.87 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL7463828 0.77 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL7424836 0.74 MAPT (0.45) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL8017451 0.74 MTNR1A (0.48) KDM4EALDH1A1CA12CA1CA2
SCHEMBL17680280 0.70 MTNR1A (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL7745405 0.70 MAPT (0.58) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL7423925 0.69 APOBEC3A (0.44) KDM4EALDH1A1HPGDSMN1; SMN2APOBEC3A
SCHEMBL27951540 0.68 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL9105728 0.68 NPC1 (0.53) HPGDPOLBMAPTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
CN-1187812-A Indole derivatives as CGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-07-15 CN disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed