SCHEMBL28433770

SCHEMBL28433770

NNC(=O)c1cc(C(=O)NN)cc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CNR2 P34972 1/20 0.43
AKT1 P31749 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 1/20 0.42
NR3C1 P04150 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL23113685 0.83 PTPN1 (0.55) PTPN1CRHBPCRHR2KMT2AMEN1
SCHEMBL23113546 0.79 ALDH1A1 (0.58) PTPN1CRHBPCRHR2KMT2AMEN1
SCHEMBL28458480 0.74 PTPN1 (0.65) PTPN1CRHBPCRHR2KMT2AMEN1
SCHEMBL6952400 0.73 PTPN1 (0.68) PTPN1CRHBPCRHR2KMT2AMEN1
SCHEMBL28507128 0.73 ALDH1A1 (0.47) PTPN1CRHBPCRHR2KMT2AMEN1
SCHEMBL31148960 0.72 DHODH (0.55) KMT2AMEN1L3MBTL1ALDH1A1HDAC8
SCHEMBL1893743 0.72 KDM4E (0.68) L3MBTL1CYP2C19ALDH1A1MAPTCYP2D6
SCHEMBL28047591 0.71 HDAC8 (0.55) KMT2AMEN1L3MBTL1ALDH1A1HDAC8
SCHEMBL4892364 0.71 ALDH1A1 (0.44) PTPN1L3MBTL1ALDH1A1HDAC1HDAC8
SCHEMBL20236425 0.71 HDAC1 (0.56) PTPN1KMT2AMEN1ALDH1A1HDAC1

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-111295205-A Deodorant-containing processing liquid, method for producing deodorant product, deodorant filter medium, deodorant filter unit, and deodorant device 东亚合成株式会社 2020-06-16 CN disclosed