SCHEMBL5633303

SCHEMBL5633303

O=C(NS)Nc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
CDK2 P24941 1/20 0.61
FLT4 P35916 1/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
HIF1A Q16665 1/20 0.59
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NAMPT P43490 1/20 0.57
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.56
ATM Q13315 1/20 0.55

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
SCHEMBL30051982 0.88 MEN1 (0.77) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL9637653 0.88 MEN1 (0.77) RAB9ANPC1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL29388210 0.86 MEN1 (0.74) RAB9ANPC1MEN1KMT2ALMNA
Bromide SCHEMBL29417998 0.86 MEN1 (0.74) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL10665495 0.83 RAB9A (0.79) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL30633570 0.81 RAB9A (0.68) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL8663578 0.81 RAB9A (0.63) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL7785654 0.81 RAB9A (0.68) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL19932355 0.81 RAB9A (0.71) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL30504811 0.80 RAB9A (0.89) RAB9ANPC1MEN1KMT2ALMNA

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