SCHEMBL10463546

SCHEMBL10463546

O=C(Cc1ccccc1)NCC=Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.52
NLRP3 Q96P20 1/20 0.52
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CNR2 P34972 2/20 0.50
POLB P06746 2/20 0.50
SLC6A9 P48067 1/20 0.50
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL10750201 0.77 KMT2A (0.77) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL9790455 0.77 LMNA (0.56) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL9790446 0.77 LMNA (0.56) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL7285179 0.75 ALDH1A1 (0.73) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL9318255 0.75 MAOB (0.58) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL23959500 0.75 EPHX2 (0.58) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL9318626 0.75 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL5860896 0.75 ALDH1A1 (0.73) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL9370024 0.73 KMT2A (0.77) SMN1; SMN2MAPTNLRP3KMT2AMEN1
SCHEMBL868147 0.73 EPHX2 (0.58) MAPTKMT2AMEN1ALDH1A1HPGD

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-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed