SCHEMBL8186887

SCHEMBL8186887

CN(Cc1ccccc1)Cc1ccc(N/C(=C2\C(=O)Nc3ccc(C(=O)N(C)Cc4ccccc4)cc32)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 4/20 0.44
ACHE P22303 4/20 0.43
BCHE P06276 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
LIMK2 P53671 1/20 0.40

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
SCHEMBL8186890 1.00 MEN1 (0.46) MEN1KMT2ANAMPTACHEBCHE
SCHEMBL8188416 0.94 MEN1 (0.46) MEN1KMT2ANAMPTALDH1A1SMN1; SMN2
SCHEMBL8188423 0.94 MEN1 (0.46) MEN1KMT2ANAMPTALDH1A1SMN1; SMN2
SCHEMBL6979865 0.94 ACHE (0.44) NAMPTACHEBCHEHDAC1
SCHEMBL6979863 0.94 ACHE (0.44) NAMPTACHEBCHEHDAC1
SCHEMBL8185977 0.92 ACHE (0.43) KMT2ANAMPTACHEBCHEHDAC1
SCHEMBL8185979 0.92 ACHE (0.43) KMT2ANAMPTACHEBCHEHDAC1
SCHEMBL6983164 0.91 ACHE (0.45) NAMPTACHEBCHEHDAC1HDAC6
SCHEMBL6983168 0.91 ACHE (0.45) NAMPTACHEBCHEHDAC1HDAC6
SCHEMBL6985368 0.89 HDAC1 (0.42) NAMPTACHEBCHEALDH1A1HDAC1

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
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed