SCHEMBL7357462

SCHEMBL7357462

COc1cccc(N2C=Cc3c([nH]c4c3CCCC4)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
DCTPP1 Q9H773 2/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
EGFR P00533 1/20 0.40
GAA P10253 1/20 0.40
ALOX5 P09917 1/20 0.38
TP53 P04637 4/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB1 P08588 1/20 0.37
MGLL Q99685 1/20 0.36
EPHB4 P54760 1/20 0.35
KDR P35968 1/20 0.35
BRD4 O60885 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
SCHEMBL7350946 0.86 CUL4A (0.39) MAPTTNKSTNKS2GAATP53
SCHEMBL7359596 0.82 MEN1 (0.40) MAPTTNKSTNKS2EGFRKMT2A
SCHEMBL7351972 0.81 KDR (0.36) MAPTEGFRGAATP53LMNA
SCHEMBL7357771 0.81 KDR (0.38) MAPTEGFRGAATP53LMNA
SCHEMBL7354835 0.71 CUL4A (0.36) KMT2AMEN1HPGDMGLL
SCHEMBL7357458 0.71 MAPT (0.42) MAPTDCTPP1TNKSTNKS2EGFR
SCHEMBL4114434 0.61 HTR7 (0.67) MAPTGAATP53LMNAKMT2A
SCHEMBL4286367 0.61 LMNA (0.67) MAPTTP53LMNAKMT2AMEN1
SCHEMBL8774614 0.60 GAA (0.49) MAPTEGFRGAATP53LMNA
SCHEMBL28211079 0.60 ADRB1 (0.50) MAPTALOX5KMT2AMEN1ADRB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5367077-A Certain cycloalkyl and azacycloalkyl pyrrolopyridines; a new class of gaba rain receptor ligands NEUROGEN CORPORATION (US) 1994-11-22 US claimed
WO-1994025461-A1 CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-10 WO claimed
US-5367077-A Certain cycloalkyl and azacycloalkyl pyrrolopyridines; a new class of gaba rain receptor ligands NEUROGEN CORPORATION (US) 1994-11-22 US disclosed
WO-1994025461-A1 CERTAIN CYCLOALKYL AND AZACYCLOALKYL PYRROLOPYRIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-10 WO disclosed