SCHEMBL10853404

SCHEMBL10853404

COc1ccc2c(c1)C(CNCCc1ccccc1)=CCO2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ATM Q13315 1/20 0.47
BCHE P06276 7/20 0.46
HTR1A P08908 3/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
HTR2A P28223 1/20 0.42
GPR55 Q9Y2T6 2/20 0.41
TP53 P04637 1/20 0.41
CNR1 P21554 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL10849661 0.81 GAA (0.47) BCHEALDH1A1
SCHEMBL10853398 0.77 CASR (0.48) MEN1KMT2AHTR1AGPR55TP53
SCHEMBL4217666 0.73 RAB9A (0.43) MEN1KMT2AHTR1ASMN1; SMN2ALDH1A1
SCHEMBL10847499 0.73 MEN1 (0.47) MEN1KMT2AATMBCHEHTR1A
SCHEMBL10032816 0.70 MEN1 (0.85) MEN1KMT2AATMBCHESMN1; SMN2
SCHEMBL12131075 0.70 MEN1 (0.85) MEN1KMT2AATMBCHESMN1; SMN2
SCHEMBL10851269 0.70 MEN1 (0.44) MEN1KMT2AATMBCHEHTR1A
SCHEMBL9835348 0.69 LMNA (0.50) MEN1KMT2AHTR1ASMN1; SMN2ALDH1A1
SCHEMBL10032820 0.69 BCHE (0.64) MEN1KMT2AATMBCHESMN1; SMN2
SCHEMBL10032817 0.69 HTR2A (0.62) MEN1KMT2AATMBCHEHTR2A

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-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed