SCHEMBL23262014

SCHEMBL23262014

Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc3c4c(oc3c2)CCC=C4)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HTT P42858 1/20 0.31
AHR P35869 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23262310 0.99 MEN1 (0.32) MEN1KMT2AHTTAHRALDH1A1
SCHEMBL22195914 0.90 PLA2G2A (0.33) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL21707325 0.90 AHR (0.35) MEN1KMT2AAHRALDH1A1HPGD
SCHEMBL22924259 0.86 PLA2G2A (0.37) MEN1KMT2AHTTAHRALDH1A1
SCHEMBL26249669 0.84 PRKDC (0.39) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL26267707 0.84 PRKDC (0.39) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL23636149 0.83 PLA2G2A (0.37) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL27346109 0.83 MAPT (0.30) MAPT
SCHEMBL24314490 0.83 PLA2G2A (0.33)
SCHEMBL27369896 0.82 MEN1 (0.31) MEN1KMT2AHTT

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-2021075775-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2021-04-22 WO disclosed