SCHEMBL27312693

SCHEMBL27312693

O=C(ON1CCC=C(O)C1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
KMT2A Q03164 8/20 0.37
MEN1 O00255 3/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP2C9 P11712 2/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL21361040 0.79 CHRNB2 (0.39) TSHRLMNAF2KMT2AMEN1
SCHEMBL27045573 0.78 F2 (0.47) TSHRLMNAF2KMT2AMEN1
SCHEMBL1266020 0.78 F2 (0.47) TSHRLMNAF2KMT2AMEN1
SCHEMBL10389764 0.77 KMT2A (0.42) TSHRLMNAF2KMT2AMEN1
SCHEMBL2510973 0.74 KMT2A (0.50) TSHRLMNAF2KMT2AMEN1
SCHEMBL25699197 0.74 F2 (0.42) TSHRLMNAF2KMT2AMEN1
SCHEMBL1249246 0.73 HPGD (0.53) TSHRLMNAF2KMT2AMEN1
SCHEMBL28495717 0.73 HPGD (0.53) TSHRLMNAF2KMT2AMEN1
SCHEMBL9772117 0.73 SMO (0.36) LMNAF2KMT2AALDH1A1MAPT
SCHEMBL22780923 0.73 CHRNB2 (0.34) TSHRLMNAKMT2AMEN1CHRNB2

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-2024077244-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS HOTSPOT THERAPEUTICS, INC. (US) 2024-04-11 WO disclosed