SCHEMBL25224342

SCHEMBL25224342

O=CN1CCCCC1.O=CN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALPG P10696 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
MGLL Q99685 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL11841381 0.92
SCHEMBL7321 0.92
SCHEMBL4874102 0.90
SCHEMBL16607618 0.89 SMN1; SMN2 (0.39) TSHRHSD17B10CA12CA7CA14
SCHEMBL13434243 0.89 SMN1; SMN2 (0.39) TSHRHSD17B10CA12CA7CA14
Hydrochloric Acid SCHEMBL5012159 0.89
Hydrochloric Acid SCHEMBL3855161 0.89 CA12 (0.38) TSHRCA12CA7CA14L3MBTL1
SCHEMBL27693198 0.86 CA12 (0.36) TSHRCA12CA7CA14L3MBTL1
Formic Acid SCHEMBL17969575 0.84 RECQL (0.37) HSD17B10CA12CA7CA14L3MBTL1
SCHEMBL20055722 0.83 HSD17B10 (0.52) TSHRHSD17B10SMN1; SMN2TP53KMT2A

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-2023086802-A1 PROCESSES FOR THE PREPARATION OF CERTAIN MESOIONIC PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2023-05-19 WO disclosed