SCHEMBL11676725

SCHEMBL11676725

CCCN(c1ccccc1)C(C)OC(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ UTS2R Q9UKP6 2/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ RORC P51449 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP9 P55211 1/20 0.40

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
SCHEMBL11680345 0.92 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10409304 0.89 KMT2A (0.50) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11676342 0.86 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11675854 0.81 HPGD (0.50) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11676680 0.81 MAPT (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11679482 0.79 LMNA (0.45) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11660003 0.79 THRB (0.45) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL11679360 0.79 BCHE (0.50) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11678680 0.78 MEN1 (0.48) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11676164 0.78 MEN1 (0.50) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2

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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