SCHEMBL7423832

SCHEMBL7423832

CCCc1c(C(=O)C(C)C)c2ccc(CC(=O)OC)cc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
MAPT P10636 4/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EDNRA P25101 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
EDNRB P24530 1/20 0.33
CYP2C9 P11712 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
SCHEMBL7424721 0.91 SLC22A12 (0.57) SLC22A12TSHRHPGDSMN1; SMN2HSD17B10
SCHEMBL7427199 0.90 SLC22A12 (0.47) SLC22A12MAPTTSHRHPGDLMNA
SCHEMBL7419283 0.81 SMN1; SMN2 (0.41) SLC22A12MAPTTSHRHPGDLMNA
SCHEMBL7425503 0.78 EDNRA (0.41) SLC22A12HPGDMAPK1EDNRAEDNRB
SCHEMBL7427422 0.78 NPC1 (0.37) SLC22A12MAPTHPGDLMNASMN1; SMN2
SCHEMBL7417097 0.78 SLC22A12 (0.43) SLC22A12MAPTHPGDLMNAMAPK1
SCHEMBL7423537 0.78 MEN1 (0.40) SLC22A12MAPTTSHRLMNAMAPK1
SCHEMBL7429126 0.77 MEN1 (0.40) SLC22A12MAPTTSHRHPGDLMNA
SCHEMBL7420199 0.76 SLC22A12 (0.37) SLC22A12SMN1; SMN2EDNRACYP3A4CYP1A2
SCHEMBL7422706 0.76 SLC22A12 (0.41) SLC22A12MAPK1EDNRAEDNRBALDH1A1

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 4 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
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed