SCHEMBL3250002

SCHEMBL3250002

C[C@@H](CN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
TP53 P04637 4/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 8/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ADRB2 P07550 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 6/20 0.33
HPGD P15428 3/20 0.33
USP2 O75604 2/20 0.33
ESR1 P03372 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3246215 1.00 MAPT (0.35) MAPTTP53LMNAKDM4EKMT2A
SCHEMBL13928180 0.90 MAPT (0.33) MAPTTP53LMNAKDM4EHSD17B10
SCHEMBL4153570 0.87 SCN9A (0.32) MAPTTP53LMNAKDM4ECA2
SCHEMBL4714851 0.86 CA2 (0.35) TP53KDM4EHSD17B10CA1CA2
SCHEMBL3250201 0.85 MAPT (0.31) MAPTTP53LMNAKDM4EHSD17B10
SCHEMBL3249112 0.84 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
SCHEMBL3251302 0.84 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
SCHEMBL3249109 0.84 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL3243095 0.84 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL3243100 0.84 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A

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