SCHEMBL5333352

SCHEMBL5333352

Cc1ccc(-c2ccc(-c3cc(NCc4cccnc4)n(C)n3)c(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CCNE1 P24864 11/20 0.46
CDK2 P24941 11/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MAPT P10636 1/20 0.42
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5334228 0.87 LMNA (0.44) ALDH1A1KDM4ELMNATSHRSMN1; SMN2
SCHEMBL5376214 0.80 TP53 (0.52) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5363955 0.80 KDM4E (0.43) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL5338164 0.78 NPC1 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5303639 0.75 LMNA (0.44) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL5310087 0.73 CYP1A2 (0.44) ALDH1A1KDM4ELMNATSHRHSD17B10
SCHEMBL5306913 0.72 CDK2 (0.40) ALDH1A1KDM4ECCNE1CDK2MAPT
SCHEMBL5333351 0.72 CYP17A1 (0.37) SMN1; SMN2HSD17B10MAPT
Hydrochloric Acid SCHEMBL5306307 0.71 ALDH1A1 (0.43) ALDH1A1KDM4ELMNATSHRSMN1; SMN2
SCHEMBL10119766 0.70 MAPT (0.57) LMNASMN1; SMN2MAPTGSK3B

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
WO-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed