SCHEMBL13634356

SCHEMBL13634356

CC1(C)COCCN1Cc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
GRM2 Q14416 1/20 0.42
CYP19A1 P11511 1/20 0.41
DTYMK P23919 1/20 0.40
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
KCNJ1 P48048 2/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXRA P19793 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13163913 0.88 SIRT6 (0.47) MAPTGRM2ALDH1A1KDM4ENPC1
SCHEMBL13634404 0.85 LMNA (0.46) MAPTGRM2ALDH1A1SMN1; SMN2LMNA
SCHEMBL13164038 0.84 GRM2 (0.45) GRM2KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13162588 0.80 MAPT (0.45) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL28760049 0.76 MAPT (0.42) MAPTGRM2CYP19A1DTYMKALDH1A1
SCHEMBL13163914 0.74 L3MBTL1 (0.50) MAPTDTYMKALDH1A1KDM4ESMN1; SMN2
SCHEMBL13270618 0.74 HTR1A (0.54) MAPTDTYMKALDH1A1KDM4ESMN1; SMN2
SCHEMBL15888568 0.74 LMNA (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13163941 0.74 ALDH1A1 (0.53) MAPTGRM2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13163139 0.74 GRM2 (0.43) MAPTGRM2ALDH1A1KDM4ESMN1; SMN2

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
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed