SCHEMBL21172152

SCHEMBL21172152

CCN(CC)CCNC(=S)NCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 6/20 0.44
ALOX12 P18054 5/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
MC4R P32245 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
SCHEMBL21171812 0.84 KDM4E (0.47) IDO1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL21171916 0.83 ALOX12 (0.62) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL21171886 0.82 KDM4E (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL21171774 0.77 KDM4E (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL20496883 0.77 IDO1 (0.65) IDO1NPC1RAB9AMEN1KMT2A
SCHEMBL24487082 0.75 ALOX12 (0.59) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL21171771 0.75 MC4R (0.61) CYP1A2CYP2A6MC4RMC5R
SCHEMBL21533667 0.75 IDO1 (0.51) IDO1NPC1RAB9AMEN1KMT2A
SCHEMBL21533693 0.75 ALDH1A1 (0.45) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4742150 0.74 MC4R (0.60) MC4RMC5R

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