SCHEMBL11034700

SCHEMBL11034700

CCCCCc1ccc(N=Cc2ccccc2C#N)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
LMNA P02545 2/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP4Z1 Q86W10 1/20 0.36
CYP4F11 Q9HBI6 1/20 0.36
CYP4F12 Q9HCS2 1/20 0.36

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
SCHEMBL8624249 0.78 LMNA (0.57) SMN1; SMN2HSD17B10TSHRALDH1A1KDM4E
SCHEMBL11810613 0.77 CYP3A4 (0.51) SMN1; SMN2HSD17B10TSHRALDH1A1KDM4E
SCHEMBL28826019 0.72 HSD17B10 (0.53) HSD17B10TSHRALDH1A1KDM4ELMNA
SCHEMBL2494214 0.72 SMN1; SMN2 (0.55) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL2494211 0.72 SMN1; SMN2 (0.55) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL16620271 0.72 CA12 (0.47) SMN1; SMN2HSD17B10TSHRALDH1A1KDM4E
SCHEMBL10334267 0.71 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL6513061 0.71 HSD17B10 (0.56) HSD17B10TSHRALDH1A1KDM4ELMNA
SCHEMBL17818519 0.71 HSD17B10 (0.56) HSD17B10TSHRALDH1A1KDM4ELMNA
SCHEMBL25698390 0.71 HSD17B10 (0.56) HSD17B10TSHRALDH1A1KDM4ELMNA

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-59144749-A None JP disclosed
JP-S59144749-A SCHIFF BASE HAVING MEGATIVE DIELECTRIC ANISOTROPY CHISSO CORP 1984-08-18 JP disclosed