SCHEMBL11676497

SCHEMBL11676497

CCN(CCOC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NOX1 Q9Y5S8 1/20 0.43

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
SCHEMBL10409305 0.87 SMN1; SMN2 (0.57) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11660004 0.85 MAPT (0.49) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL11677287 0.84 MEN1 (0.54) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11678940 0.84 CYP3A4 (0.51) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11674594 0.83 MTNR1B (0.57) MAPTHTTRAB9ASMN1; SMN2LMNA
SCHEMBL11676811 0.82 MEN1 (0.60) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11670996 0.81 KDM4E (0.45) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL11676169 0.80 RAB9A (0.57) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11675850 0.79 NPC1 (0.59) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL11676686 0.79 MAPT (0.64) MAPTKMT2AMEN1HTTRAB9A

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-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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