SCHEMBL19005488

SCHEMBL19005488

CNc1cc(NC(C)C)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HCAR3 P49019 2/20 0.41
POLB P06746 2/20 0.38
TPMT P51580 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GPR35 Q9HC97 1/20 0.37
PKM P14618 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL25453211 0.88 HCAR3 (0.46) KDM4EALDH1A1MEN1KMT2AHCAR3
SCHEMBL2884556 0.86 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL21466423 0.84 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2AHCAR3
SCHEMBL26342713 0.84 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2AHCAR3
SCHEMBL21780558 0.82 MEN1 (0.54) ALDH1A1MEN1KMT2AHCAR3POLB
SCHEMBL7080111 0.82 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL20763402 0.82 TDP1 (0.46) ALDH1A1TDP1L3MBTL1RXFP1
SCHEMBL21722851 0.81 CA12 (0.54) KDM4EALDH1A1MEN1KMT2AHCAR3
SCHEMBL28582621 0.80 TPMT (0.55) ALDH1A1MEN1KMT2AHCAR3TPMT
SCHEMBL23671863 0.80 TPMT (0.41) KDM4EALDH1A1MEN1KMT2AHCAR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442709-B2 Selectively permeable graphene oxide membrane NITTO DENKO CORPORATION (JP) 2019-10-15 US disclosed
US-20170174537-A1 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2017-06-22 US disclosed