SCHEMBL9569066

SCHEMBL9569066

COc1ccnc(-c2cccc(F)c2SC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.51
CCR5 P51681 1/20 0.51
CCR8 P51685 1/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
MAPK1 P28482 2/20 0.39
P2RX7 Q99572 3/20 0.36
PLAU P00749 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL9569042 0.84 CCR1 (0.53) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL9569056 0.83 CCR1 (0.51) CCR1CCR5CCR8NOS3NOS1
SCHEMBL10333208 0.77 CCR1 (0.58) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL9569003 0.76 NOS2 (0.53) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL9568937 0.76 CCR1 (0.49) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL13985936 0.76 CCR1 (0.66) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL27322683 0.74 CCR1 (0.63) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL27388134 0.74 CCR1 (0.46) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL9569010 0.73 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL10333247 0.72 CCR1 (0.59) CCR1CCR5CCR8NPC1RAB9A

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
EP-0526033-A1 Benzimidazoles FISONS plc (GB) 1993-02-03 EP disclosed