SCHEMBL9050973

SCHEMBL9050973

CCCNS(=O)(=O)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AR P10275 2/20 0.42
HTR1B P28222 2/20 0.42
HTR1D P28221 1/20 0.42
LTA4H P09960 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4905930 0.86 AR (0.44) ALDH1A1HPGDRECQLMEN1KMT2A
SCHEMBL634317 0.78 ALDH1A1 (0.66) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL14873518 0.75 ALOX15 (0.39) ALDH1A1RECQLMEN1KMT2AHTT
SCHEMBL27767404 0.74 MAOA (0.43) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL728128 0.73 PGR (0.56) HPGDRECQLMEN1KMT2AHTT
SCHEMBL1604166 0.71 KCNA3 (0.46) ALDH1A1HPGDRECQLMEN1KMT2A
SCHEMBL9050971 0.71 CA12 (0.42) ALDH1A1HPGDRECQLMEN1KMT2A
SCHEMBL1674268 0.71 KCNA3 (0.50) ALDH1A1RECQLKMT2ACA12CA9
SCHEMBL6782565 0.70 KMT2A (0.45) ALDH1A1RECQLMEN1KMT2AHTT
SCHEMBL8907383 0.70 MEN1 (0.60) ALDH1A1HPGDMEN1KMT2ACA12

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-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed