SCHEMBL4788034

SCHEMBL4788034

O=S(=O)(c1cccc2nonc12)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
CCR1 P32246 4/20 0.55
MAPT P10636 4/20 0.55
POLB P06746 3/20 0.52
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL4785395 0.85 MAPT (0.55) ALDH1A1KMT2AMEN1CCR1MAPT
SCHEMBL4787844 0.81 L3MBTL1 (0.50) ALDH1A1CCR1MAPTMAPK1
SCHEMBL4785450 0.80 CCR1 (0.46) ALDH1A1KMT2AMEN1CCR1MAPT
SCHEMBL4786636 0.78 CCR1 (0.44) ALDH1A1KMT2AMEN1CCR1MAPT
SCHEMBL4788145 0.77 CCR1 (0.43) ALDH1A1CCR1MAPTLMNAMAPK1
SCHEMBL4786573 0.77 CCR1 (0.43) ALDH1A1KMT2AMEN1CCR1MAPT
SCHEMBL4807717 0.77 MAPT (0.48) ALDH1A1KMT2AMEN1CCR1MAPT
SCHEMBL5290681 0.76 CCR1 (0.46) ALDH1A1KMT2AMEN1CCR1MAPT
SCHEMBL5246794 0.76 TRPV4 (0.47) ALDH1A1KMT2AMEN1CCR1MAPT
SCHEMBL4816303 0.76 CCR1 (0.46) ALDH1A1KMT2AMEN1CCR1MAPT

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
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed