SCHEMBL20195417

SCHEMBL20195417

Cc1cccnc1OCc1c(N)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
CSF1R P07333 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
GAA P10253 2/20 0.38
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP6 P55212 1/20 0.36
MET P08581 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL20195568 0.82 SYK (0.41) SMN1; SMN2ALDH1A1KMT2ANOS3NOS1
SCHEMBL20195594 0.82 BDKRB2 (0.43) SMN1; SMN2ALDH1A1KMT2ACSF1RGAA
SCHEMBL20195451 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NOS3
SCHEMBL20195627 0.79 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2AATML3MBTL1
SCHEMBL20195426 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AATMPOLB
SCHEMBL20195535 0.78 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KMT2AATML3MBTL1
SCHEMBL16920895 0.74 MPO (0.44) SMN1; SMN2ALDH1A1KMT2AGAAPOLB
SCHEMBL17788202 0.72 MPO (0.43) SMN1; SMN2ALDH1A1KMT2AGAAPOLB
SCHEMBL16920894 0.71 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1KMT2AL3MBTL1GAA
SCHEMBL6734384 0.71 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GAACYP2C19

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed