SCHEMBL8089595

SCHEMBL8089595

O=C(OCc1ccccc1)c1[nH]c2c(c1Cc1ccc(Cl)c(Cl)c1)C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 4/20 0.45
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL8093064 0.85 PTK2 (0.47) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL8095077 0.83 MAPT (0.40) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL8088554 0.73 DYRK1A (0.40) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL8095087 0.69 RNASEH1 (0.42) MAPTRAB9ALMNAALOX15HTT
SCHEMBL7049658 0.69 BRD4 (0.50) MAPTRAB9ASMN1; SMN2LMNAGAA
SCHEMBL8089467 0.65 MAPT (0.41) MAPTSMN1; SMN2LMNATSHRGAA
SCHEMBL7638188 0.64 ALDH1A1 (0.67) MAPTRAB9ANPC1TSHRALOX15
SCHEMBL7463688 0.62 TUBB4A (0.46) MAPTRAB9ANPC1TP53MEN1
SCHEMBL2469143 0.62 SMN1; SMN2 (0.52) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL7641215 0.62 NPSR1 (0.49) RAB9ANPC1TSHRALOX15HTT

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