SCHEMBL30177205

SCHEMBL30177205

CCOC(=O)Cc1ncccc1C(=O)N1CCSCC1CO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
HCRTR2 O43614 3/20 0.35
HSD11B1 P28845 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
BCL2 P10415 1/20 0.34
USP2 O75604 1/20 0.34
HCRTR1 O43613 1/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL25274312 1.00 MAPT (0.44) MAPTMAPK1CYP2C19ALDH1A1MEN1
SCHEMBL25719680 0.90 MAPT (0.45) MAPTMAPK1CYP2C19ALDH1A1MEN1
SCHEMBL23884805 0.86 MAPT (0.40) MAPTMAPK1CYP2C19ALDH1A1MEN1
SCHEMBL23884691 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL23884683 0.84 HCRTR2 (0.47) MAPTMAPK1MEN1KMT2AHCRTR2
SCHEMBL30177220 0.82 MAPT (0.44) MAPTMAPK1MEN1KMT2AHCRTR2
SCHEMBL23884694 0.82 MAPT (0.44) MAPTMAPK1MEN1KMT2AHCRTR2
SCHEMBL30177281 0.82 MAPT (0.36) MAPTMAPK1CYP2C19ALDH1A1MEN1
SCHEMBL23884695 0.82 MAPT (0.36) MAPTMAPK1CYP2C19ALDH1A1MEN1
SCHEMBL25590617 0.80 HCRTR2 (0.36) CYP2C19HCRTR2HSD11B1HCRTR1TRPV1

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
EP-4126832-A1 MODULATORS OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2023-02-08 EP disclosed