SCHEMBL27313595

SCHEMBL27313595

CCc1ccc(CNC(=O)n2ccc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
ASAH1 Q13510 5/20 0.48
RXFP1 Q9HBX9 2/20 0.45
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27312078 0.88 ASAH1 (0.57) NOTUMASAH1TSHRRAB9AL3MBTL1
SCHEMBL20047281 0.87 EGFR (0.50) NOTUMASAH1TSHRRAB9AL3MBTL1
SCHEMBL27312101 0.86 NPSR1 (0.54) NOTUMASAH1RXFP1TSHRRAB9A
SCHEMBL27312100 0.85 IDO1 (0.56) NOTUMRXFP1RAB9AL3MBTL1MAPT
SCHEMBL27312082 0.84 ASAH1 (0.45) NOTUMASAH1TSHRRAB9AL3MBTL1
SCHEMBL27312355 0.82 NOTUM (0.43) NOTUMASAH1RXFP1TSHRRAB9A
SCHEMBL2117436 0.82 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1MAPT
SCHEMBL27312077 0.82 ALDH1A1 (0.51) ASAH1MAPTMEN1KMT2AMAPK1
SCHEMBL30877041 0.79 HTR6 (0.45) NOTUMASAH1KMT2ANPSR1
SCHEMBL27312619 0.79 HTR6 (0.45) NOTUMASAH1KMT2ANPSR1

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-2024091450-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-02 WO disclosed