SCHEMBL28049710

SCHEMBL28049710

O=C(O)C1=C(Nc2cccc(Cl)c2)CC(C(=O)O)C(Nc2cccc(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KMT2A Q03164 6/20 0.42
▸ LMNA P02545 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ MAPT P10636 2/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ EPHX2 P34913 3/20 0.41
▸ EPHX1 P07099 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ DGAT1 O75907 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ GRIK1 P39086 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL1415627 0.83 MAPT (0.40) ALDH1A1HTTHPGDKDM4ESMN1; SMN2
SCHEMBL28049701 0.83 RAB9A (0.41) ALDH1A1HTTHPGDKDM4ESMN1; SMN2
SCHEMBL4098337 0.80 SLC6A3 (0.42) ALDH1A1HTTHPGDKDM4ESMN1; SMN2
SCHEMBL28049711 0.75 MEN1 (0.54) ALDH1A1HTTHPGDKDM4ESMN1; SMN2
SCHEMBL28049775 0.73 KMT2A (0.43) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL10903652 0.66 ALDH1A1 (1.00) ALDH1A1HTTHPGDKDM4ESMN1; SMN2
SCHEMBL5950203 0.65 KMT2A (0.67) ALDH1A1HTTHPGDKDM4ESMN1; SMN2
SCHEMBL4098338 0.64 TRPV1 (0.54) ALDH1A1HTTHPGDKDM4ESMN1; SMN2
SCHEMBL24482694 0.64 DHODH (0.46) ALDH1A1HTTHPGDKDM4ESMN1; SMN2
SCHEMBL4098333 0.64 ALDH1A1 (0.53) ALDH1A1HTTHPGDSMN1; SMN2KMT2A

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
CN-105189659-A Quinacridone pigment of low amine content and method for producing same DAINIPPON INK & CHEMICALS 2015-12-23 — — CN disclosed
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