SCHEMBL8807533

SCHEMBL8807533

Cc1cc(-c2cccc(CNCc3ccccc3)c2)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ VSIR Q9H7M9 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL8809534 0.88 CHEK1 (0.51) CHEK1ROCK2NPY5RPOLBRAB9A
SCHEMBL1773863 0.78 RAB9A (0.61) CHEK1POLBRAB9AKDM4EALDH1A1
SCHEMBL8815388 0.77 PARP1 (0.51) POLBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL28282909 0.74 RAB9A (0.57) CHEK1POLBRAB9AKDM4EALDH1A1
SCHEMBL4893890 0.74 RAB9A (0.57) POLBRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL22000113 0.74 BCHE (0.55) BCHEKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL8808211 0.73 BCHE (0.42) BCHEVSIRBRD4KDM4EALDH1A1
SCHEMBL8810148 0.73 BCHE (0.42) BCHEVSIRBRD4KDM4EALDH1A1
SCHEMBL20465066 0.73 NOTUM (0.51) NPY5RPOLBRAB9AALDH1A1SMN1; SMN2
Boric Acid SCHEMBL8816030 0.72 RAB9A (0.53) POLBRAB9AKDM4EALDH1A1SMN1; SMN2

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
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