SCHEMBL21172153

SCHEMBL21172153

N=C(N)NCCOC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARG P37231 3/20 0.40

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
SCHEMBL21533787 0.84 ALDH1A1 (0.51) HPGDTSHRSMN1; SMN2KMT2AF10
SCHEMBL21533698 0.82 SMN1; SMN2 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21171908 0.81 MEN1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4570311 0.79 CYP1A2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21171793 0.79 F2 (0.43) SMN1; SMN2
SCHEMBL21171993 0.78 VNN1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24820212 0.78 PLAU (0.47) CASP1SMN1; SMN2MEN1KMT2APPARG
SCHEMBL21171817 0.77 TGM2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10810921 0.76 CYP1A2 (0.49) CASP1MEN1KMT2APPARGPPARD
SCHEMBL21171999 0.75 MC5R (0.47) HDAC3HDAC1HDAC2HDAC8NR1H4

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-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 US disclosed