SCHEMBL7186400

SCHEMBL7186400

CC1=C(C=O)C(c2ccccc2[N+](=O)[O-])C(C=O)=C(C)N1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ABCC4 O15439 2/20 0.44
CACNA1F O60840 2/20 0.44
ABCB11 O95342 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
OPRM1 P35372 2/20 0.44
SCN1A P35498 2/20 0.44
HTR2B P41595 2/20 0.44
CACNA1D Q01668 2/20 0.44
KCNH2 Q12809 2/20 0.44
CACNA1S Q13698 2/20 0.44

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
SCHEMBL12727534 0.81 CACNA1C (0.58) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL16203201 0.75 CACNA1C (0.54) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL1672208 0.74 TSHR (0.70) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL16087942 0.72 CACNA1D (0.48) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL9343265 0.71 MAPT (0.53) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL11748826 0.71 CACNA1B (0.52) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL11683170 0.70 TSHR (0.65) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL11754347 0.68 TSHR (0.49) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL11810522 0.68 TSHR (0.61) KMT2AHSD17B10KDM4EMAPTTP53
SCHEMBL13198586 0.68 CACNA1C (0.63) KMT2AHSD17B10KDM4EMAPTTP53

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
US-6538209-B1 Substrate for mounting semiconductor element having circuit patterns, and an insulating layer made of photosensitive and thermally-melting type adhesive resin NITTO DENKO CORPORATION (JP) 2003-03-25 US disclosed