SCHEMBL9856593

SCHEMBL9856593

CO[C@H]1C[C@@H](O)[C@H](O)[C@@H](CNCc2ccccc2)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 1/20 0.45
HTR2C P28335 1/20 0.40
NEU2 Q9Y3R4 1/20 0.39
CXCR4 P61073 2/20 0.38
FUCA1 P04066 1/20 0.37
HTR2A P28223 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL9856549 0.86 MAN1B1 (0.44) MAN1B1HTR2CNEU2CXCR4HTR2A
SCHEMBL9856487 0.78 HOGA1 (0.35)
SCHEMBL9856460 0.78 PDE4D (0.39) KMT2A
SCHEMBL9843718 0.72 PDE4D (0.48)
SCHEMBL9844144 0.72 PDE4D (0.48)
SCHEMBL22992300 0.72 PDE4D (0.48)
SCHEMBL9307929 0.72 TYMP (0.41) MEN1KMT2A
SCHEMBL10773292 0.72 TYMP (0.41) MEN1KMT2A
SCHEMBL9307935 0.72 TYMP (0.41) MEN1KMT2A
SCHEMBL25308645 0.70 CXCR4 (0.49) MAN1B1HTR2CCXCR4HTR2AMEN1

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
US-4983726-A Antitumor agents SANOFI S.A. (FR) 1991-01-08 US disclosed
US-4902791-A ANTITUMOR AGENTS SANOFI S.A. (FR) 1990-02-20 US disclosed