SCHEMBL8370898

SCHEMBL8370898

CCn1ncc(C(=O)c2ccc(Cl)c(-c3nnnn3C)c2Cl)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
RAB9A P51151 4/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 6/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMO O15229 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL8138308 0.77 RAB9A (0.35) SMN1; SMN2RAB9ALMNATSHRMAPK1
SCHEMBL8306233 0.76 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ACYP1A2CYP2C19HPGD
SCHEMBL4245180 0.73 RAB9A (0.38) SMN1; SMN2RAB9AALDH1A1POLBLMNA
SCHEMBL9076935 0.73 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AALDH1A1POLBLMNA
SCHEMBL9076246 0.73 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AALDH1A1POLBLMNA
SCHEMBL27524777 0.72 LMNA (0.44) SMN1; SMN2RAB9ACYP1A2CYP2C19HPGD
SCHEMBL10668544 0.71 RAB9A (0.50) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL3436915 0.71 RAB9A (0.36) SMN1; SMN2RAB9AALDH1A1POLBLMNA
SCHEMBL7949489 0.71 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL7949349 0.71 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AHPGDALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11012275-A None JP disclosed
JP-H1112275-A TETRAZONE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES NIPPON SODA CO LTD 1999-01-19 JP disclosed