SCHEMBL24611560

SCHEMBL24611560

C1=CCC2Nc3ccccc3CC2C=C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.34
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL13784800 0.78 MTNR1A (0.37) GAAMAPT
SCHEMBL2024487 0.76 MAPT (0.43) GAAMAPTARBRD4CREBBP
SCHEMBL30059612 0.72 MAPT (0.53) GAAMAPTARBRD4CREBBP
SCHEMBL13784855 0.71 GAA (0.32) GAAMAPT
SCHEMBL14011740 0.71 HTR2A (0.33) GAAMAPT
SCHEMBL23637643 0.70 CREBBP (0.31) BRD4CREBBP
SCHEMBL18068338 0.69 GAA (0.40) GAAMAPTARBRD4CREBBP
SCHEMBL22361781 0.68 IDO1 (0.48)
SCHEMBL26054011 0.67 GAA (0.38) GAAMAPTARBRD4CREBBP
SCHEMBL12475851 0.66 GAA (0.47) GAAMAPTARBRD4CREBBP

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-3347355-B1 HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2022-07-13 EP disclosed