SCHEMBL9867970

SCHEMBL9867970

Cc1nn(C)c(Oc2ccccn2)c1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.40
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS2 P35354 3/20 0.34
DRD1 P21728 1/20 0.34
MAPT P10636 1/20 0.34
LTA4H P09960 1/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL9672301 0.80 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL8724908 0.76 CYP1A2 (0.53) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL9674925 0.75 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL9673792 0.72 SMN1; SMN2 (0.76) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL9673128 0.71 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL2071589 0.71 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL13243006 0.71 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL15332932 0.71 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL13243011 0.70 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL24162675 0.70 CYP1A2 (0.73) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA

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
US-5036158-A Intermediate compounds for an insecticidal and acaricidal pyrazole compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-30 US disclosed
US-5021446-A Pyrazole compounds, insecticidal and acaricidal compositions and use SUMITOMO CHEMICAL COMPANY (JP) 1991-06-04 US disclosed