SCHEMBL28223471

SCHEMBL28223471

Cc1cccc(Cn2cccc(N)c2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.62
▸ TP53 P04637 5/20 0.62
▸ POLB P06746 3/20 0.62
▸ LMNA P02545 5/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PTGER3 P43115 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ EGLN1 Q9GZT9 1/20 0.48
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48

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
SCHEMBL27383780 0.86 MAPT (0.68) MAPTTP53POLBLMNARXFP1
SCHEMBL20995404 0.83 EGLN1 (0.69) MAPTTP53POLBLMNARXFP1
SCHEMBL27383531 0.83 MAPT (0.61) MAPTTP53POLBLMNARXFP1
SCHEMBL28223469 0.82 MAPT (0.52) MAPTTP53POLBLMNAALDH1A1
SCHEMBL27383530 0.81 MAPT (0.65) MAPTTP53POLBLMNARXFP1
SCHEMBL15804049 0.80 BRD4 (0.54) MAPTPOLBLMNARXFP1ALDH1A1
SCHEMBL17477640 0.80 MAPT (0.63) MAPTTP53POLBLMNARXFP1
SCHEMBL27383551 0.79 MAPT (0.56) MAPTTP53POLBLMNARXFP1
SCHEMBL14611520 0.78 MAPT (0.57) MAPTTP53POLBLMNAALDH1A1
SCHEMBL30647255 0.76 BRD4 (0.74) MAPTTP53LMNARXFP1ALDH1A1

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
CN-108137542-A Pyridone diformamide as bromine structural domain inhibitor 葛兰素史克知识产权第二有限公司 2018-06-08 — — CN disclosed
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