SCHEMBL6884466

SCHEMBL6884466

CC(=O)C(C)(C)Cn1cncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.46
HSP90AA1 P07900 2/20 0.44
LMNA P02545 2/20 0.42
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 2/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP51A1 Q16850 1/20 0.38
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
AR P10275 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9841089 0.81 FDPS (0.46) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL9788435 0.81 FDPS (0.50) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL10514194 0.80 FDPS (0.45) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL11503000 0.77 FDPS (0.40) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL4640786 0.76 FDPS (0.56) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL11168444 0.76 FDPS (0.56) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL6984785 0.76 FDPS (0.50) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL11503077 0.74 FDPS (0.42) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL21277060 0.73 FDPS (0.53) FDPSEGLN3HSP90AA1LMNACYP3A4
SCHEMBL5746694 0.72

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381610-A1 6-(2-CHLORO-6-FLUORO-PHENYL)-TRIAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2004-01-21 EP disclosed
EP-1381609-A1 5-HALOGEN-6-PHENYL-7-FLUOROALKYLAMINO-TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-21 EP disclosed
WO-2002083677-A1 6-(2-CHLORO-6-FLUORO-PHENYL)-TRIAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 WO disclosed
WO-2002083676-A1 5-HALOGEN-6-PHENYL-7-FLUORALKYLAMINO-TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 WO disclosed
US-4960781-A Fungicidal disazolyl-hydroxyalkyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0308782-A2 Antimycotic preparations BAYER AG (DE) 1989-03-29 EP disclosed
EP-0307791-A1 Bisazolyl-hydroxyalkyl derivatives BAYER AG (DE) 1989-03-22 EP disclosed
EP-0170831-A1 Azolylethers, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1986-02-12 EP disclosed