SCHEMBL4563259

SCHEMBL4563259

C=CCn1cnc2cc(N(C)C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
GFER P55789 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
TERT O14746 1/20 0.39
APP P05067 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 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
SCHEMBL1539124 0.87 KMT2A (0.52) KMT2AALDH1A1MAPTTDP1KDM4E
SCHEMBL2568138 0.81 KDM4E (0.65) KMT2AALDH1A1MAPTTDP1KDM4E
SCHEMBL19848314 0.80 ALDH1A1 (0.47) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL1539099 0.77 FGFR1 (0.46) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL10893089 0.77 NPC1 (0.46) KMT2AALDH1A1MAPTTDP1KDM4E
SCHEMBL6536735 0.77 PRPS1 (0.42) KMT2AALDH1A1MAPTTDP1KDM4E
SCHEMBL623907 0.77 MAPT (0.64) KMT2AALDH1A1MAPTTDP1KDM4E
SCHEMBL10891799 0.77 MAPT (0.41) KMT2AALDH1A1MAPTTDP1KDM4E
SCHEMBL9678684 0.77 ALDH1A1 (0.43) KMT2AALDH1A1KDM4ELMNAHTT
SCHEMBL7643046 0.77 FGFR1 (0.50) ALDH1A1MAPTTDP1KDM4EHTT

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-2061464-A2 COMBINATION THERAPY FOR TUMORAL DISEASE TREATMENT Ramot, at Tel Aviv University Ltd. (IL) 2009-05-27 EP disclosed
WO-2008032324-A2 COMBINATION THERAPY FOR TUMORAL DISEASE TREATMENT RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-03-20 WO disclosed