SCHEMBL10909609

SCHEMBL10909609

CCNC(=O)N(O)C1CCOP(=O)(N(CCCl)CCCl)N1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRYZ Q08257 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL10908639 0.87 CRYZ (0.42) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10909288 0.85 ADRA2A (0.42) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10906319 0.82 CRYZ (0.42) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10909406 0.82 NPSR1 (0.44) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10909426 0.78 CRYZ (0.45) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10908627 0.77 CRYZ (0.40) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10908573 0.76 CRYZ (0.43) CRYZNPSR1KDM4EALOX15MAPK1
4-Hydroxycyclophosphamide SCHEMBL406857 0.72 NPSR1 (0.54) CRYZNPSR1KDM4EALOX15MAPK1
4-Hydroxycyclophosphamide SCHEMBL17737224 0.72 NPSR1 (0.54) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL17899474 0.71 NPSR1 (0.57) CRYZNPSR1KDM4EALOX15MAPK1

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
US-4618692-A ANTITUMOR AGENTS ASTA-WERKE AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed