SCHEMBL7977558

SCHEMBL7977558

C[C@H](Oc1ccc(N)cc1Br)c1nnc(-c2ccccc2Cl)n1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.49
PLA2G7 Q13093 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 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
SCHEMBL7977555 0.90 HSD11B1 (0.49) HSD11B1PLA2G7ALDH1A1NPC1LMNA
SCHEMBL7979284 0.85 HSD11B1 (0.45) HSD11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL7979290 0.85 HSD11B1 (0.52) HSD11B1
SCHEMBL12671008 0.85 HSD11B1 (0.46) HSD11B1ALDH1A1KDM4EHPGD
SCHEMBL7984122 0.83 HSD11B1 (0.47) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL7982107 0.78 HSD11B1 (0.52) HSD11B1
SCHEMBL7977548 0.77 HSD11B1 (0.47) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL7984073 0.77 HSD11B1 (0.44) HSD11B1LMNA
SCHEMBL12671007 0.77 HSD11B1 (0.46) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL7984075 0.76 HSD11B1 (0.48) HSD11B1ALDH1A1NPC1LMNARAB9A

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
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed