SCHEMBL30697702

SCHEMBL30697702

N#CC(C#N)CCSc1ccc(C(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.42
HSD17B3 P37058 1/20 0.39
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CYP19A1 P11511 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA1 P30542 1/20 0.32
POLB P06746 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
SCHEMBL26122187 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1PKMKDM4EHSD17B3
SCHEMBL4492296 0.75 ALDH1A1 (0.56) ALDH1A1L3MBTL1PKMKDM4EHSD17B3
SCHEMBL7797891 0.75 ALDH1A1 (0.56) ALDH1A1L3MBTL1PKMKDM4EHSD17B3
SCHEMBL2585379 0.75 ALDH1A1 (0.56) ALDH1A1L3MBTL1PKMKDM4EHSD17B3
SCHEMBL20381801 0.75 ALDH1A1 (0.57) ALDH1A1L3MBTL1PKMKDM4EHSD17B3
SCHEMBL26121696 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1PKMKDM4EMAPT
SCHEMBL16592116 0.73 ALDH1A1 (0.54) ALDH1A1L3MBTL1PKMKDM4EHSD17B3
SCHEMBL14234544 0.72 ALDH1A1 (0.56) ALDH1A1L3MBTL1PKMKDM4EHSD17B3
SCHEMBL14350432 0.72 ALDH1A1 (0.52) ALDH1A1L3MBTL1PKMKDM4EHSD17B3
SCHEMBL26121222 0.71 P2RX7 (0.36) ALDH1A1KDM4E

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 3 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
CN-119032081-A Process for preparing various substituted cyanocyclopropyl-heteroarenes or arenes 先正达农作物保护股份公司 2024-11-26 CN 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