SCHEMBL19708686

SCHEMBL19708686

O[n+]1ccc2ccnc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
PARG Q86W56 1/20 0.35
CYP2A6 P11509 1/20 0.33
HIPK2 Q9H2X6 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31

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
SCHEMBL19692412 0.78 LMNA (0.41) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL29536823 0.67 MAPT (0.70) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL144590 0.67 MAPT (0.70) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL245970 0.67 LMNA (0.37) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL2984594 0.66 LMNA (0.47) LMNACYP3A4MAPTAPEX1MAPK1
Hydrochloric Acid SCHEMBL11811816 0.66 MAPT (0.68) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL1243375 0.65 CYP3A4 (0.47) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL12266517 0.65 LMNA (0.60) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL2671644 0.64 PLAU (0.59) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL30527962 0.64 PLAU (0.59) LMNACYP3A4MAPTAPEX1MAPK1

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-2017211760-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO disclosed