SCHEMBL19645161

SCHEMBL19645161

C=C(C)COc1ccc2sc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.59
MAOB P27338 6/20 0.59
ALDH1A1 P00352 9/20 0.54
KMT2A Q03164 4/20 0.54
PKM P14618 3/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 7/20 0.49
MAPT P10636 5/20 0.49
CA2 P00918 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 5/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL19771472 0.89 ALDH1A1 (0.51) MAOAMAOBALDH1A1KMT2APKM
SCHEMBL2129509 0.81 MAOA (0.66) MAOAMAOBALDH1A1KMT2AMEN1
SCHEMBL9610678 0.78 MAOA (0.49) MAOAMAOBALDH1A1KMT2APKM
SCHEMBL5749669 0.77 MAOB (0.60) MAOAMAOBALDH1A1HPGDMAPT
SCHEMBL9610688 0.77 KDM4E (0.55) MAOAMAOBALDH1A1KMT2APOLB
SCHEMBL9610685 0.76 MAOA (0.46) MAOAMAOBALDH1A1KMT2APKM
SCHEMBL3802319 0.76 MAOA (0.58) MAOAMAOBALDH1A1KMT2APKM
SCHEMBL18786074 0.74 KMT2A (0.57) MAOAMAOBALDH1A1KMT2APOLB
SCHEMBL3567204 0.74 MAOA (0.60) MAOAMAOBALDH1A1KMT2APOLB
SCHEMBL9610686 0.74 KMT2A (0.62) MAOAMAOBALDH1A1KMT2APOLB

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-9829792-B2 Monomer, polymer, positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-28 US disclosed