SCHEMBL21765658

SCHEMBL21765658

O=C(CBr)Nc1cnc(NC(=O)CBr)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
RAB9A P51151 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 1/20 0.41
NPC1 O15118 3/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DEGS1 O15121 1/20 0.39
POLB P06746 1/20 0.38
JAK3 P52333 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1037837 0.89 NOTUM (0.55) TSHRRAB9ATDP1NOTUMNPC1
SCHEMBL1040074 0.82 NOTUM (0.51) TSHRRAB9ANOTUMNPC1GAA
SCHEMBL15004187 0.81 TSHR (0.69) TSHRRAB9ANPC1GAAMEN1
SCHEMBL21765906 0.79 NPC1 (0.35) TSHRRAB9ATDP1NOTUMNPC1
SCHEMBL222437 0.79 TDP1 (0.69) TSHRRAB9ATDP1NPC1MEN1
SCHEMBL29518679 0.79 TSHR (0.46) TSHRRAB9ATDP1NPC1KMT2A
SCHEMBL1866130 0.79 TSHR (0.46) TSHRRAB9ATDP1NPC1KMT2A
SCHEMBL839206 0.79 RAB9A (0.66) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16230884 0.79 TSHR (0.46) TSHRRAB9ATDP1NPC1MEN1
SCHEMBL21589400 0.75 USP30 (0.54) TSHRRAB9ANPC1MEN1KMT2A

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed