SCHEMBL10692363

SCHEMBL10692363

CCSc1c2ccccc2cc2c(C=O)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ERN1 O75460 4/20 0.38
ELANE P08246 2/20 0.36
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1I2 O75469 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1127615 0.79 MEN1 (0.58) MEN1KMT2AELANEALDH1A1L3MBTL1
SCHEMBL29754212 0.79 MEN1 (0.58) MEN1KMT2AELANEALDH1A1L3MBTL1
Butane SCHEMBL7228806 0.76 TDP1 (0.46) MEN1KMT2AALDH1A1GAALMNA
Hexane SCHEMBL27689826 0.75 ALDH1A1 (0.42) MEN1KMT2AERN1ALDH1A1GAA
Pyrene SCHEMBL14694259 0.74 CYP1A2 (0.52) MEN1KMT2AELANEALDH1A1GAA
SCHEMBL10488230 0.74 PADI4 (0.42) MEN1KMT2AERN1ELANEALDH1A1
SCHEMBL985197 0.73 ERN1 (0.46) MEN1KMT2AERN1ALDH1A1GAA
SCHEMBL39718 0.71 ALDH1A1 (0.50) MEN1KMT2AERN1ALDH1A1GAA
SCHEMBL29392367 0.71 ALDH1A1 (0.50) MEN1KMT2AERN1ALDH1A1GAA
SCHEMBL5749236 0.71 TDP1 (0.41) MEN1KMT2AERN1ALDH1A1GAA

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
US-4719049-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed