SCHEMBL10908573

SCHEMBL10908573

O=C(Nc1ccccc1Br)N(O)C1CCOP(=O)(N(CCCl)CCCl)N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRYZ Q08257 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL10909426 0.84 CRYZ (0.45) CRYZNPSR1NPC1RAB9AKDM4E
SCHEMBL10906319 0.80 CRYZ (0.42) CRYZHPGDNPSR1NPC1RAB9A
SCHEMBL10909609 0.76 CRYZ (0.40) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10908639 0.75 CRYZ (0.42) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10909288 0.75 ADRA2A (0.42) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10909406 0.74 NPSR1 (0.44) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10908627 0.70 CRYZ (0.40) CRYZNPSR1MAPTKDM4EALOX15
SCHEMBL10908632 0.69 CRYZ (0.40) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL6693720 0.68 CRYZ (0.71) CRYZNPSR1KDM4EALOX15MAPK1
SCHEMBL10908405 0.66 CRYZ (0.46) 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