SCHEMBL30453674

SCHEMBL30453674

Nc1ncc(-c2ccc3[nH]cc(CN4CCCCC4)c3c2)nc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
MET P08581 4/20 0.40
CSF1R P07333 3/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
MPO P05164 3/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
GRIN2B Q13224 3/20 0.35
ICMT O60725 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL488471 1.00 S1PR1 (0.41) S1PR1METCSF1RLMNAHTT
SCHEMBL488054 0.99 S1PR1 (0.41) S1PR1METCSF1RLMNAHTT
SCHEMBL30453085 0.99 S1PR1 (0.41) S1PR1METCSF1RLMNAHTT
SCHEMBL30453800 0.92 LRRK2 (0.41) S1PR1METCSF1RJAK2MPO
SCHEMBL488507 0.92 LRRK2 (0.41) S1PR1METCSF1RJAK2MPO
SCHEMBL30453537 0.89 MET (0.40) S1PR1METCSF1RLMNAHTT
SCHEMBL487928 0.89 MET (0.40) S1PR1METCSF1RLMNAHTT
SCHEMBL488448 0.87 CSF1R (0.37) S1PR1METCSF1RKDM4EJAK2
SCHEMBL30453037 0.87 CSF1R (0.37) S1PR1METCSF1RKDM4EJAK2
SCHEMBL10216305 0.87 CSF1R (0.37) S1PR1METCSF1RKDM4EJAK2

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed