SCHEMBL8302044

SCHEMBL8302044

Cc1nc(C)c(C(=O)Nc2ccc(-c3ccccc3C)cc2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.71
RECQL P46063 1/20 0.71
NPC1 O15118 7/20 0.61
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.57
TP53 P04637 1/20 0.57
KMT2A Q03164 4/20 0.50
F10 P00742 2/20 0.50
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL1827200 0.84 RAB9A (0.63) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL23602 0.83 RAB9A (1.00) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL13210663 0.80 RAB9A (0.59) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL12263907 0.79 RAB9A (0.58) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL27971154 0.78 F10 (0.73) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL10213378 0.78 L3MBTL1 (0.57) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL10213375 0.78 RAB9A (0.56) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL16017275 0.77 RAB9A (0.53) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL27971290 0.76 RAB9A (0.70) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL13210725 0.76 RAB9A (0.54) RAB9ARECQLNPC1MAPTSMN1; SMN2

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
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed