SCHEMBL5633200

SCHEMBL5633200

O=C(NS)Nc1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.75
TAAR1 Q96RJ0 2/20 0.64
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 2/20 0.53
SMARCA2 P51531 1/20 0.53
SMARCA4 P51532 1/20 0.53
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 1/20 0.51
GAA P10253 1/20 0.50
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50
MAPT P10636 1/20 0.49
BCHE P06276 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL10020286 0.86 MDM2 (1.00) MDM2TAAR1KMT2AMEN1KDM4E
SCHEMBL31668740 0.84 MDM2 (0.95) MDM2TAAR1KMT2AMEN1KDM4E
SCHEMBL305498 0.78 TAAR1 (1.00) MDM2TAAR1KMT2AMEN1RAB9A
SCHEMBL8666001 0.78 MDM2 (0.75) MDM2TAAR1KMT2AMEN1KDM4E
SCHEMBL7789976 0.78 MDM2 (0.75) MDM2TAAR1KMT2AMEN1KDM4E
SCHEMBL23999548 0.78 MDM2 (0.83) MDM2TAAR1KMT2AMEN1KDM4E
SCHEMBL9297607 0.77 MDM2 (0.67) MDM2TAAR1KMT2AMEN1KDM4E
SCHEMBL1615552 0.77 SMN1; SMN2 (0.73) TAAR1KMT2AMEN1KDM4ERAB9A
SCHEMBL5633303 0.76 RAB9A (0.63) TAAR1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL11699912 0.76 MAOA (0.63) KMT2AMEN1KDM4EL3MBTL1RAB9A

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-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed