SCHEMBL24713403

SCHEMBL24713403

CCc1ccnc(OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 1/20 0.35
LRRK2 Q5S007 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
NFE2L2 Q16236 2/20 0.33
RPS6KA5 O75582 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
BTK Q06187 1/20 0.33
APLNR P35414 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
ACSS2 Q9NR19 1/20 0.32

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
SCHEMBL14117235 0.84 HPGD (0.47) HPGDSMN1; SMN2LRRK2SLC13A5
SCHEMBL5942718 0.82 GRM2 (0.38) HPGDSMN1; SMN2MTNR1ACDC7DBF4
SCHEMBL18589185 0.82 MEN1 (0.42) IDO1MTNR1ALRRK2CDC7DBF4
SCHEMBL23219832 0.80 HPGD (0.35) IDO1HPGDSMN1; SMN2MTNR1ASLC13A5
SCHEMBL24344519 0.78 AURKA (0.38) HPGDSMN1; SMN2MTNR1ARPS6KA5NOS3
SCHEMBL24344266 0.78 HPGD (0.46) HPGDSMN1; SMN2MTNR1ACDC7DBF4
SCHEMBL1135203 0.78 LMNA (0.40) HPGDSMN1; SMN2
SCHEMBL12052563 0.77 LRRK2 (0.33) HPGDSMN1; SMN2LRRK2ACSS2
SCHEMBL11965050 0.75 FFAR1 (0.37) HPGDSMN1; SMN2RPS6KA5NOS3NOS2
SCHEMBL439658 0.75 NFE2L2 (0.36) IDO1NFE2L2APLNRCCR1CCR5

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-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed