SCHEMBL17546504

SCHEMBL17546504

CN=C1C=CC(=Nc2ccc(Nc3ccc(Nc4ccc(N)cc4)cc3)cc2)C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ RAD52 P43351 1/20 0.40
▸ ENPP2 Q13822 1/20 0.38
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 2/20 0.34

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
SCHEMBL12747007 0.91 MAPT (0.50) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL15497987 0.86 MAPT (0.42) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL14594147 0.86 ACHE (0.45) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL13707594 0.84 HPGD (0.44) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL21091591 0.84 ALDH1A1 (0.48) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL9126691 0.84 MAPT (0.59) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL47774 0.84 HPGD (0.44) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL15489199 0.84 MAPT (0.64) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL13899818 0.84 HPGD (0.44) MAPTL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL16229251 0.84 HPGD (0.44) MAPTL3MBTL1ALDH1A1HTTCYP3A4

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-20160046767-A1 METHOD FOR PRODUCING POLYANILINE HAVING SELF-DOPING FUNCTION AND ANTISTATIC AGENT CONTAINING POLYANILINE PRODUCED THEREBY DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-02-18 — — US disclosed
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