SCHEMBL8760458

SCHEMBL8760458

CCC(C)(C)Nc1ccc2ccccc2c1C(=O)NCCBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
EPHX1 P07099 1/20 0.38
HPGD P15428 1/20 0.36
PTGS2 P35354 1/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ELANE P08246 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL8761385 0.91 LMNA (0.40) LMNAEPHX1HPGDPTGS2CA12
SCHEMBL8761891 0.90 EPHX1 (0.48) LMNAEPHX1HPGDCA12CA4
SCHEMBL8523990 0.82 EPHX1 (0.50) LMNAEPHX1HPGDCA12CA4
SCHEMBL8761409 0.81 EPHX1 (0.47) LMNAEPHX1HPGDCA12CA4
SCHEMBL8761584 0.81 KDM4E (0.40) EPHX1HPGDCA12CA4CA7
SCHEMBL8327540 0.74 TAAR1 (0.49) LMNAHPGDNCEH1KDM4EALDH1A1
SCHEMBL8523292 0.74 IDO1 (0.38) LMNAEPHX1CA12CA4CA7
SCHEMBL8761442 0.70 KDM4E (0.40) EPHX1HPGDNCEH1GAAKDM4E
SCHEMBL8761896 0.68 MEN1 (0.44) LMNAEPHX1NCEH1GAAKDM4E
SCHEMBL17255897 0.68 KDM4E (0.43) EPHX1HPGDPTGS2CA12CA4

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
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed