SCHEMBL23665366

SCHEMBL23665366

Cc1ccc(-c2ccc(C)s2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.62
CCR5 P51681 1/20 0.62
CCR8 P51685 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
METAP2 P50579 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAPT P10636 5/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGDS O60760 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL19335918 0.85 CCR1 (0.50) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL12405064 0.83 NPC1 (0.42) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL19243082 0.82 CCR1 (0.56) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL15432172 0.81 NPC1 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL23555729 0.79 CCR1 (0.58) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL24970240 0.79 MAPT (0.40) CCR1CCR5CCR8HDAC6MAPT
Abametapir SCHEMBL29374261 0.78 CCR1 (1.00) CCR1CCR5CCR8HDAC6NOS3
Abametapir SCHEMBL351152 0.78 CCR1 (1.00) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL9287981 0.78 CCR1 (0.56) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL13601833 0.76 CYP3A4 (0.50) CCR1CCR5CCR8HDAC6NOS3

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
US-20220416167-A1 OSMIUM-CONTAINING CONJUGATED POLYMER AND METHODS THEREOF XIAMEN UNIVERSITY (CN) 2022-12-29 US disclosed
WO-2021143690-A1 OSMIUM-CONTAINING CONJUGATED POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 厦门大学 2021-07-22 WO disclosed