SCHEMBL9704800

SCHEMBL9704800

Cc1nc2nc(C)n(Cc3ccc(-c4ccccc4OC(=O)OC(C)(C)C)cc3)c2cc1N1CCCN(Cc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
ABL1 P00519 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RIN1 Q13671 1/20 0.37
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP10 P09238 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AGTR1 P30556 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AGTR2 P50052 1/20 0.33
BRD4 O60885 1/20 0.33
PDE6D O43924 1/20 0.33
PER2 O15055 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL9704459 0.91 SPHK1 (0.41) SPHK1ABL1POLBHPGDRIN1
SCHEMBL9704153 0.90 KMT2A (0.42) SPHK1HPGDMMP3MMP7MMP10
SCHEMBL9705284 0.85 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9705198 0.84 PPARG (0.41)
SCHEMBL9705244 0.83 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9704034 0.80 ALDH1A1 (0.45) SPHK1POLBHPGDALDH1A1LMNA
SCHEMBL9705967 0.79 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9704840 0.78 AGTR1 (0.43) HPGDALDH1A1AGTR1LMNAKDM4E
SCHEMBL8792336 0.77 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9704516 0.77 AGTR1 (0.41) AGTR1AGTR2

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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed