SCHEMBL22649461

SCHEMBL22649461

NCc1nc(-c2cccc(F)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
TP53 P04637 2/20 0.52
ACLY P53396 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 2/20 0.46
GRM5 P41594 1/20 0.46
TSHR P16473 1/20 0.46
DPP4 P27487 1/20 0.46
MEN1 O00255 1/20 0.46
CA4 P22748 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL1544532 0.84 TP53 (0.52) NOTUMTP53ACLYNPC1RAB9A
SCHEMBL24092055 0.84 TP53 (0.52) NOTUMTP53ACLYNPC1RAB9A
SCHEMBL8293860 0.81 NOTUM (0.67) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL12477652 0.80 NOTUM (0.69) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL102648 0.79 TP53 (0.47) NOTUMTP53ACLYNPC1RAB9A
Hydrochloric Acid SCHEMBL5656477 0.78 NOTUM (0.67) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14153507 0.78 NPC1 (0.57) NOTUMTP53ACLYTAAR1NPC1
SCHEMBL12704747 0.78 CHRNB2 (0.53) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14153029 0.76 NPC1 (0.74) TP53NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2360819 0.76 L3MBTL1 (0.77) TP53NPC1RAB9ASMN1; SMN2L3MBTL1

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-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed