SCHEMBL30697694

SCHEMBL30697694

N#Cc1cccnc1SC(COc1ccccc1)CC(C#N)C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
CXCR2 P25025 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOS2 P35228 1/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 3/20 0.31
ALOX15 P16050 2/20 0.31
TP53 P04637 1/20 0.31
HBB P68871 1/20 0.31

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
SCHEMBL30697693 1.00 SLC22A12 (0.37) SLC22A12ALDH1A1HPGDADAMTS5CXCR2
SCHEMBL26125835 1.00 SLC22A12 (0.37) SLC22A12ALDH1A1HPGDADAMTS5CXCR2
SCHEMBL26118819 0.90 NPC1 (0.46) SLC22A12ALDH1A1HPGDADAMTS5LMNA
SCHEMBL30697709 0.79 CYP2D6 (0.45) SLC22A12ALDH1A1HPGDCXCR2NPC1
SCHEMBL26120013 0.79 CYP2D6 (0.45) SLC22A12ALDH1A1HPGDCXCR2NPC1
SCHEMBL26122226 0.76 HPGD (0.38) SLC22A12ALDH1A1HPGDLMNANPC1
SCHEMBL30697699 0.76 HPGD (0.38) SLC22A12ALDH1A1HPGDLMNANPC1
SCHEMBL30697697 0.67 CXCR2 (0.38) SLC22A12ALDH1A1HPGDCXCR2LMNA
SCHEMBL26119745 0.67 CXCR2 (0.38) SLC22A12ALDH1A1HPGDCXCR2LMNA
SCHEMBL3605491 0.67 ALDH1A1 (0.55) SLC22A12ALDH1A1HPGDCXCR2POLB

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-4504706-A1 PROCESS FOR THE PREPARATION OF DIVERSELY SUBSTITUTED CYANOCYCLOPROPYL - HETEROARENES OR ARENES Syngenta Crop Protection AG (CH) 2025-02-12 EP disclosed
WO-2023194496-A1 PROCESS FOR THE PREPARATION OF DIVERSELY SUBSTITUTED CYANOCYCLOPROPYL - HETEROARENES OR ARENES SYNGENTA CROP PROTECTION AG (CH) 2023-10-12 WO disclosed