SCHEMBL28827019

SCHEMBL28827019

NNCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 3/20 0.54
LMNA P02545 3/20 0.54
IDO1 P14902 2/20 0.54
AOC3 Q16853 2/20 0.54
TSHR P16473 2/20 0.54
NPC1 O15118 1/20 0.54
KDM1A O60341 1/20 0.54
CYP1A2 P05177 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOA P21397 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
MAOB P27338 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL9422360 0.82 TSHR (0.41) ALDH1A1CYP3A4LMNAIDO1AOC3
SCHEMBL17705682 0.80 CARM1 (0.63) ALDH1A1CYP3A4LMNAIDO1AOC3
SCHEMBL4081568 0.79 HTT (0.55) ALDH1A1AOC3TSHRHDAC3HDAC1
SCHEMBL16081620 0.79 ATM (0.54) ALDH1A1CYP3A4AOC3TSHRNPC1
SCHEMBL11293490 0.79 CARM1 (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL28241166 0.78 MEN1 (0.61) MAOAMAPTHDAC3HDAC1HDAC2
SCHEMBL6165777 0.78 L3MBTL1 (0.53) ALDH1A1LMNATSHRMAPTHDAC3
SCHEMBL21121016 0.77 CARM1 (0.46) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL19326604 0.77 HTT (0.53) ALDH1A1AOC3TSHRHDAC3HDAC1
SCHEMBL9329761 0.77 HTT (0.53) ALDH1A1AOC3TSHRHDAC3HDAC1

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-105601741-A Polypeptides and polynucleotides, and uses thereof for treatment of immune related disorders and cancer COMPUGEN LTD 2016-05-25 CN disclosed