SCHEMBL19657645

SCHEMBL19657645

CNC(=O)Nc1cc(OC)cc(I)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.48
CREBBP Q92793 2/20 0.48
GCK P35557 4/20 0.43
ADORA3 P0DMS8 4/20 0.41
FGFR1 P11362 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GBA1 P04062 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL19657672 0.83 FBP1 (0.49) FBP1CREBBPGCKADORA3FGFR1
SCHEMBL2089387 0.81 FBP1 (0.52) FBP1CREBBPGCKADORA3FGFR1
SCHEMBL21024032 0.79 ALDH1A1 (0.46) FBP1CREBBPGCKADORA3FGFR1
SCHEMBL19657958 0.79 FBP1 (0.47) FBP1CREBBPGCKADORA3FGFR1
SCHEMBL14350863 0.71 KMT2A (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19657675 0.70 RAB9A (0.53) GCKNPC1RAB9AMEN1KMT2A
SCHEMBL2088650 0.70 FBP1 (0.61) FBP1CREBBPNPC1RAB9ASMN1; SMN2
SCHEMBL2087609 0.70 FBP1 (0.61) FBP1CREBBPNPC1RAB9AMEN1
SCHEMBL31492254 0.69 NR3C2 (0.49) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL2087732 0.69 FBP1 (0.56) FBP1CREBBPMEN1KMT2ASMN1; 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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed