SCHEMBL10696545

SCHEMBL10696545

CCCCCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccoc3)c([N+](=O)[O-])cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
PTK2 Q05397 1/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HCAR3 P49019 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
NPC1 O15118 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL10708155 0.90 PTK2 (0.39) LMNAMAPTKMT2AMAPK1PTK2
SCHEMBL10707594 0.89 PTK2 (0.36) LMNAMAPTKMT2AMAPK1PTK2
SCHEMBL10700893 0.86 SETD7 (0.41) LMNAMAPTKMT2AMAPK1MEN1
SCHEMBL10698960 0.86 MAPT (0.41) LMNAMAPTKMT2AMAPK1MEN1
SCHEMBL10696939 0.84 SMN1; SMN2 (0.49) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL10696534 0.84 MAPT (0.42) LMNAMAPTKMT2AMAPK1MEN1
SCHEMBL10699942 0.84 MAPT (0.51) LMNAMAPTKMT2AMAPK1MEN1
SCHEMBL10697943 0.83 MAPT (0.41) LMNAMAPTKMT2AMAPK1MEN1
SCHEMBL10701527 0.83 MAPT (0.49) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL10696183 0.82 MAPT (0.51) LMNAMAPTKMT2AMAPK1MEN1

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed