SCHEMBL7160604

SCHEMBL7160604

OCc1cccnc1-c1ncccc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TRPV1 Q8NER1 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
RUNX1 Q01196 1/20 0.41
DPP4 P27487 1/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL30832971 1.00 KDM4E (0.48) KDM4EL3MBTL1LMNAGAANPC1
SCHEMBL2889939 0.87 TRPV1 (0.47) KDM4EL3MBTL1LMNAGAANPC1
SCHEMBL17455924 0.85 TRPV1 (0.46) KDM4EL3MBTL1LMNAGAANPC1
SCHEMBL30098846 0.83 KDM4E (0.48) KDM4EL3MBTL1LMNAGAANPC1
SCHEMBL7036968 0.83 KDM4E (0.48) KDM4EL3MBTL1LMNAGAANPC1
SCHEMBL5144683 0.82 CYP2A6 (0.58) KDM4ELMNAGAAHTTSMN1; SMN2
SCHEMBL3719145 0.82 TRPV1 (0.47) KDM4EL3MBTL1LMNAGAANPC1
SCHEMBL4049174 0.82 TRPV1 (0.47) KDM4EL3MBTL1LMNAGAANPC1
SCHEMBL31692108 0.81 KDM4E (0.39) KDM4EL3MBTL1LMNAGAANPC1
SCHEMBL8192202 0.80 DPP4 (0.50) KDM4EL3MBTL1LMNAGAANPC1

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-6548836-B1 Solid state light-emitting device MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-04-15 US disclosed
EP-0411935-A2 Copper radio sensitizers JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1991-02-06 EP disclosed