SCHEMBL10425874

SCHEMBL10425874

NCCCCc1ccccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH1 P35367 1/20 0.38
TSHR P16473 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
HTR2A P28223 1/20 0.37
TAAR1 Q96RJ0 6/20 0.36
MPO P05164 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL14465961 0.88 LMNA (0.52) MEN1LMNATHRBBLMKMT2A
SCHEMBL5302766 0.86 TAAR1 (0.50) MEN1LMNATHRBBLMKMT2A
SCHEMBL6686182 0.85 LMNA (0.44) MEN1LMNATHRBBLMKMT2A
Hydrochloric Acid SCHEMBL15009414 0.84 HTR2A (0.48) MEN1LMNATHRBBLMKMT2A
SCHEMBL12760885 0.81 THRB (0.44) MEN1LMNATHRBBLMKMT2A
SCHEMBL617128 0.81 LIPG (0.55) MEN1LMNATHRBBLMKMT2A
SCHEMBL24133067 0.81 MAOA (0.45) MAOAALDH1A1HRH1TAAR1MPO
SCHEMBL5171915 0.79 LIPG (0.58) MEN1LMNATHRBBLMKMT2A
SCHEMBL20594223 0.79 LIPG (0.58) MEN1LMNATHRBBLMKMT2A
SCHEMBL9560038 0.79 THRB (0.43) MEN1LMNATHRBBLMKMT2A

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-4952513-A NOT FOR KETONES AND ALDEHYDES; FORMING REACTION PRODUCT IN SITU WITH DERIVATIZING AGENT CRYSTAL DIAGNOSTICS, INC. (US) 1990-08-28 US disclosed