SCHEMBL7985100

SCHEMBL7985100

Cn1c(-c2ccccc2Cl)nnc1C(C)(C)Oc1ccc(N)cn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.49
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38

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
SCHEMBL7985098 0.86 HSD11B1 (0.49) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL7968044 0.84 HSD11B1 (0.53) HSD11B1
SCHEMBL7995018 0.84 HSD11B1 (0.53) HSD11B1
SCHEMBL12671020 0.84 HSD11B1 (0.46) HSD11B1ALDH1A1KDM4EHPGDOXTR
SCHEMBL7988162 0.83 HSD11B1 (0.54) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL1417729 0.78 HSD11B1 (0.59) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL1417458 0.78 HSD11B1 (0.59) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL7984543 0.76 HSD11B1 (0.54) HSD11B1
SCHEMBL2983487 0.75 HSD11B1 (0.67) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL18905854 0.74 HSD11B1 (0.71) 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