SCHEMBL22083545

SCHEMBL22083545

COC(=O)n1cc(C)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
LPO P22079 2/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
P2RX4 Q99571 2/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PKM P14618 1/20 0.31
BCHE P06276 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
SCHEMBL376224 0.82 L3MBTL1 (0.38) POLBALDH1A1LMNAKDM4EMAPT
SCHEMBL12126347 0.78 IKBKB (0.34) SMN1; SMN2
SCHEMBL13233881 0.78 GAA (0.35) POLBSMN1; SMN2GAARAB9ABCHE
SCHEMBL1559563 0.77 LMNA (0.33) POLBLMNAKDM4EPKM
Hydrochloric Acid SCHEMBL11562510 0.77 L3MBTL1 (0.33) POLBALDH1A1LMNAKDM4EPKM
SCHEMBL28386019 0.75 LMNA (0.33) LMNAKDM4EPKM
SCHEMBL20675615 0.73 ALDH1A1 (0.47) ALDH1A1TSHRMAPTSMN1; SMN2P2RX4
SCHEMBL14543016 0.73 MAPT (0.33) KDM4EMAPTSMN1; SMN2HPGDMEN1
SCHEMBL12126191 0.73 TSHR (0.39) POLBALDH1A1LMNAHSD17B10TSHR
SCHEMBL17000560 0.72 L3MBTL1 (0.30) LMNAKDM4ETSHRGAA

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
WO-2020114212-A1 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF 青岛清原化合物有限公司 2020-06-11 WO disclosed