SCHEMBL19657675

SCHEMBL19657675

CNC(=O)Nc1cccc(I)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
GBA1 P04062 6/20 0.45
NPC1 O15118 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TP53 P04637 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GCK P35557 2/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.41
GRM5 P41594 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
SCHEMBL1025772 0.79 KMT2A (0.48) RAB9ASMN1; SMN2GBA1NPC1MEN1
SCHEMBL25023335 0.79 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1RECQLGBA1
SCHEMBL13403442 0.79 XIAP (0.61) RAB9ASMN1; SMN2ALDH1A1RECQLGBA1
SCHEMBL12890512 0.76 RAB9A (0.50) RAB9ASMN1; SMN2ALDH1A1RECQLGBA1
SCHEMBL22822777 0.76 RAB9A (0.50) RAB9ASMN1; SMN2ALDH1A1RECQLGBA1
SCHEMBL11279908 0.74 RAB9A (0.66) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4717737 0.74 RAB9A (0.64) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL23967015 0.70 BRD4 (0.54) RAB9ASMN1; SMN2ALDH1A1RECQLNPC1
SCHEMBL2483314 0.70 KMT2A (0.43) SMN1; SMN2ALDH1A1MEN1KMT2ATP53
SCHEMBL19657645 0.70 FBP1 (0.48) RAB9ASMN1; SMN2GBA1NPC1MEN1

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed