SCHEMBL3245465

SCHEMBL3245465

CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)C4CCNCC4)cc3c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
TP53 P04637 3/20 0.34
KDM4E B2RXH2 3/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3255160 0.95 MAPT (0.38) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL3252606 0.92 ALDH1A1 (0.36) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL3254901 0.92 KDM4E (0.38) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL3251355 0.91 ALDH1A1 (0.37) ALDH1A1MAPTPOLBHPGDLMNA
Hydrochloric Acid SCHEMBL3249006 0.88 SLC6A2 (0.43) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL3241985 0.87 MAPT (0.42) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL3245494 0.85 PARG (0.42) ALDH1A1MAPTPOLBLMNATP53
SCHEMBL3243030 0.84 MAPT (0.34) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL3242992 0.84 RXFP1 (0.35) ALDH1A1MAPTPOLBHPGDLMNA
SCHEMBL3241913 0.83 KDM4E (0.51) ALDH1A1MAPTPOLBHPGDLMNA

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed