SCHEMBL14757299

SCHEMBL14757299

O=C(N/N=C/c1ccc[nH]1)C1CC1c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.75
▸ LMNA P02545 4/20 0.75
▸ L3MBTL1 Q9Y468 3/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ RAB9A P51151 2/20 0.75
▸ NPC1 O15118 1/20 0.75
▸ NR2F2 P24468 1/20 0.75
▸ HTT P42858 1/20 0.75
▸ GAA P10253 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ TRPM5 Q9NZQ8 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HDAC4 P56524 1/20 0.51
▸ RECQL P46063 1/20 0.51

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
SCHEMBL14757390 0.86 MAPT (1.00) MAPTLMNAL3MBTL1TDP1RAB9A
SCHEMBL14434517 0.82 MAPT (0.77) MAPTLMNAL3MBTL1TDP1HTT
SCHEMBL9925199 0.82 MAPT (0.77) MAPTLMNAL3MBTL1TDP1HTT
SCHEMBL12218020 0.82 MAPT (0.77) MAPTLMNAL3MBTL1TDP1HTT
SCHEMBL9655956 0.76 MAPT (0.63) MAPTLMNARAB9ANPC1GAA
SCHEMBL9655953 0.76 MAPT (0.63) MAPTLMNARAB9ANPC1GAA
SCHEMBL31005089 0.74 MAPT (0.78) MAPTLMNAL3MBTL1RAB9ANPC1
SCHEMBL10335322 0.73 MAPT (0.63) MAPTLMNARAB9ANPC1GAA
SCHEMBL1223595 0.72 TRPM5 (1.00) MAPTLMNAHTTGAAPOLB
SCHEMBL1223594 0.72 TRPM5 (1.00) MAPTLMNAHTTGAAPOLB

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-2013032907-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER STEM CELLS THE BROAD INSTITUTE, INC. (US) 2013-03-07 — — WO disclosed
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