SCHEMBL23999934

SCHEMBL23999934

Cc1cc(Nc2ccc(C3OCCO3)nc2)c2cc(N3CC(C)OC(CC(C)C)C3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DNMT1 P26358 1/20 0.35
RAD52 P43351 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL24003998 0.90 MAPT (0.44) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL25847594 0.88 MAPT (0.39) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL26310403 0.84 MAPT (0.47) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL23999887 0.80 MAPT (0.59) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL24000021 0.78 MAPT (0.45) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL23999935 0.74 MAPT (0.42) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL25826536 0.73 MAPT (0.43) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL26323174 0.70 MAPT (0.36) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL24000032 0.70 MAPT (0.47) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL26310405 0.70 MAPT (0.46) MAPTPOLBSMN1; SMN2TSHRMAPK1

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
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed