SCHEMBL3255160

SCHEMBL3255160

CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)C4CC4)cc3c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 3/20 0.36
KDM4E B2RXH2 4/20 0.35
USP2 O75604 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ESR1 P03372 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 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
SCHEMBL3252606 0.95 ALDH1A1 (0.36) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL3245465 0.95 ALDH1A1 (0.36) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL3254901 0.94 KDM4E (0.38) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL3251355 0.94 ALDH1A1 (0.37) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL3243030 0.89 MAPT (0.34) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL3242992 0.87 RXFP1 (0.35) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL3242989 0.86 CASP3 (0.33) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL3254823 0.86 CASP3 (0.33) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL3250843 0.86 MAPT (0.44) MAPTALDH1A1HPGDLMNAPOLB
Hydrochloric Acid SCHEMBL3250746 0.86 MAPT (0.33) MAPTALDH1A1HPGDLMNAPOLB

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