SCHEMBL17675503

SCHEMBL17675503

O=C(O)Nc1ccc(C[AsH2])cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 1/20 0.44
DEGS1 O15121 2/20 0.44
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.40
HCAR3 P49019 1/20 0.39
WNT3A P56704 1/20 0.39
PTK2 Q05397 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11466907 0.84 DEGS1 (0.56) RAB9AKMT2AMEN1MAPTDEGS1
SCHEMBL466003 0.84 RAB9A (0.46) RAB9AKMT2AMEN1MAPTDEGS1
SCHEMBL3720037 0.82 RAB9A (0.44) RAB9AKMT2AMEN1MAPTDEGS1
SCHEMBL3202851 0.82 RAB9A (0.44) RAB9AKMT2AMEN1MAPTDEGS1
SCHEMBL465776 0.82 RAB9A (0.47) RAB9AKMT2AMEN1MAPTDEGS1
Hydrochloric Acid SCHEMBL8722614 0.81 MEN1 (0.43) RAB9AKMT2AMEN1MAPTDEGS1
SCHEMBL16246036 0.81 RAB9A (0.43) RAB9AKMT2AMEN1MAPTDEGS1
SCHEMBL27659324 0.79 RAB9A (0.43) RAB9AKMT2AMEN1MAPTDEGS1
SCHEMBL28322047 0.79 RAB9A (0.50) RAB9AKMT2AMEN1MAPTDEGS1
SCHEMBL16246169 0.79 RAB9A (0.46) RAB9AKMT2AMEN1MAPTDEGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215189-A1 POLYMER ADJUVANT Oxford University Innovation Limited (GB) 2017-09-13 EP disclosed
WO-2016055812-A1 POLYMER ADJUVANT ISIS INNOVATION LIMITED (GB) 2016-04-14 WO disclosed