SCHEMBL7474872

SCHEMBL7474872

CCCC1(C(=O)OC)C=c2ccccc2=N1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 1/20 0.34
TSHR P16473 5/20 0.33
CYP2D6 P10635 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL27976403 0.83 HTT (0.39) CYP3A4KMT2AMEN1KDM4EALDH1A1
SCHEMBL27768567 0.75 TSHR (0.34) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL15057654 0.74 MEN1 (0.35) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8428534 0.70 ABCB1 (0.36) KMT2AMEN1ALDH1A1CYP2C19HSD17B10
SCHEMBL10783455 0.68 L3MBTL1 (0.32)
SCHEMBL1847048 0.68 PKM (0.37) CYP3A4KMT2AALDH1A1CYP2C19TSHR
SCHEMBL14992328 0.68 ALDH1A1 (0.39) CYP3A4KMT2AMEN1KDM4EALDH1A1
SCHEMBL866591 0.67
SCHEMBL27674117 0.65 TSHR (0.34) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL6688749 0.64 THRB (0.31) ALDH1A1SMN1; SMN2TDP1TSHR

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
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed