SCHEMBL7384572

SCHEMBL7384572

CCCCOC(=O)N(C(=N)Nc1cc2ccccc2cn1)C(=O)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
CTSK P43235 1/20 0.46
CHEK1 O14757 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ABL1 P00519 6/20 0.41
MTOR P42345 1/20 0.41
WNT3A P56704 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6994498 0.80 NOTUM (0.46) NOTUMCTSKCHEK1ALDH1A1KDM4E
SCHEMBL7385006 0.76 SMN1; SMN2 (0.38) CTSKALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL213675 0.71 NOTUM (0.49) NOTUMCTSKCHEK1ALDH1A1KDM4E
SCHEMBL27449890 0.71 TSHR (0.60) ALDH1A1KDM4ESMN1; SMN2TSHRCYP1A2
SCHEMBL2574304 0.71 EPHX1 (0.61) NOTUMCTSKCHEK1ALDH1A1SMN1; SMN2
SCHEMBL215046 0.70 ALDH1A1 (0.48) NOTUMCTSKCHEK1ALDH1A1KDM4E
SCHEMBL2837600 0.70 CTSK (0.52) NOTUMCTSKCHEK1ALDH1A1KDM4E
SCHEMBL213835 0.69 KDM4E (0.47) NOTUMCTSKCHEK1ALDH1A1KDM4E
SCHEMBL2319091 0.68 NOTUM (0.56) NOTUMCHEK1ALDH1A1KDM4EABL1
SCHEMBL2837602 0.68 NOTUM (0.46) NOTUMCTSKCHEK1ALDH1A1KDM4E

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-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 WO disclosed