SCHEMBL17801474

SCHEMBL17801474

Cc1nc2c(Br)cccc2cc1NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
BACE1 P56817 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
CRHBP P24387 1/20 0.35
GFER P55789 1/20 0.35
CRHR2 Q13324 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL17801463 0.83 LCK (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL22410629 0.82 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17801432 0.78 ALDH1A1 (0.47) MAPTALDH1A1HPGDHSD17B10BACE1
SCHEMBL22410705 0.74 ALDH1A1 (0.53) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7547167 0.73 BACE1 (0.46) MAPTALDH1A1HPGDBACE1GAA
SCHEMBL24652573 0.72 POLB (0.51) MAPTSMN1; SMN2ALDH1A1HSD17B10POLB
SCHEMBL2719453 0.72 SMN1; SMN2 (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31716582 0.70 BACE1 (0.43) MAPTSMN1; SMN2ALDH1A1HPGDBACE1
SCHEMBL17801468 0.70 BACE1 (0.52) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17495017 0.70 NPC1 (0.46) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed