SCHEMBL6160850

SCHEMBL6160850

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(C(=O)CNC(Cc3ccc(C(=N)N)cc3)C(=O)O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.56
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
F10 P00742 2/20 0.41
SLC22A2 O15244 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
PROC P04070 1/20 0.41
HPN P05981 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
NQO2 P16083 1/20 0.41
PRSS3 P35030 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41

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
SCHEMBL6165313 0.87 F2 (0.58) F2HDAC1HDAC8
SCHEMBL6162892 0.79 F2 (0.53) F2HDAC1F10PLGNQO2
Hydrochloric Acid SCHEMBL6161320 0.76 F2 (0.53) F2
SCHEMBL7252982 0.74 F2 (0.68) F2F10SLC22A2PLGPLAT
SCHEMBL23901812 0.74 F2 (0.57) F2PLG
SCHEMBL34433937 0.74 F2 (0.57) F2PLG
SCHEMBL7251622 0.74 F2 (0.60) F2HDAC1
Hydrochloric Acid SCHEMBL7249776 0.74 F2 (0.62) F2HDAC1HDAC8F10
Hydrochloric Acid SCHEMBL7251642 0.74 F2 (0.67) F2F10SLC22A2PLGPLAT
Hydrochloric Acid SCHEMBL7246548 0.74 F2 (0.59) F2HDAC1

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-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed