SCHEMBL8095077

SCHEMBL8095077

[N-]=[N+]=C1CCc2[nH]c(C(=O)OCc3ccccc3)c(Cc3ccc(Cl)c(Cl)c3)c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TP53 P04637 4/20 0.39
RAB9A P51151 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 3/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
STAT1 P42224 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL8089595 0.83 MAPT (0.46) MAPTTP53RAB9AMEN1KMT2A
SCHEMBL7046244 0.72 CCR2 (0.40) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL8093064 0.67 PTK2 (0.47) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8089467 0.62 MAPT (0.41) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL8095087 0.62 RNASEH1 (0.42) MAPTTP53RAB9AMEN1KMT2A
SCHEMBL7638188 0.61 ALDH1A1 (0.67) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7463688 0.60 TUBB4A (0.46) MAPTTP53RAB9AMEN1KMT2A
SCHEMBL2469143 0.60 SMN1; SMN2 (0.52) MAPTTP53RAB9AMEN1KMT2A
SCHEMBL7641215 0.60 NPSR1 (0.49) RAB9AMEN1KMT2ANPC1NPSR1
SCHEMBL13505598 0.59 KMT2A (0.53) MAPTRAB9AMEN1KMT2ANPC1

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-1054667-A1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999040913-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed