SCHEMBL6652225

SCHEMBL6652225

S=c1sc2cc3ccccc3nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPT P10636 6/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 7/20 0.39
POLB P06746 5/20 0.39
GAA P10253 4/20 0.39
KMT2A Q03164 6/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTR3A P46098 1/20 0.35
STAT3 P40763 1/20 0.35
NQO2 P16083 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.34
PTBP1 P26599 1/20 0.34
RCE1 Q9Y256 1/20 0.34

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
SCHEMBL54635 0.78 MAPT (0.48) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL30061114 0.78 MAPT (0.48) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL29112956 0.67 ALDH1A1 (0.94) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL11716295 0.67 GPR3 (0.46) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL8339 0.65 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL1224573 0.65 CA12 (0.46) ALDH1A1MAPTHPGDKDM4ERAB9A
Acridine SCHEMBL29352289 0.65 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL1772714 0.65 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL3045498 0.65 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE
Acridine SCHEMBL4972293 0.65 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGLAACHE

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-1416798-A2 THIAZOLO 4,5-b]PYRIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-05-12 EP disclosed
WO-2003006470-A2 THIAZOLO [4,5-b]PYRIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-01-23 WO disclosed