SCHEMBL8326541

SCHEMBL8326541

O=C(Nc1nnn[nH]1)c1ccc(CCc2cc(Br)ccc2OCc2ccccc2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.47
CCR5 P51681 1/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 3/20 0.40
USP28 Q96RU2 1/20 0.39
USP25 Q9UHP3 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL8675246 0.85 LRRK2 (0.44) LRRK2CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL8323808 0.81 CCR5 (0.47) LRRK2CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL8321883 0.81 PTGER1 (0.47) LRRK2CCR5HTTALDH1A1SMN1; SMN2
SCHEMBL11561500 0.77 LRRK2 (0.63) LRRK2PTGER1
SCHEMBL11560468 0.74 MET (0.52) LRRK2
SCHEMBL8324805 0.74 PTGER1 (0.49) LRRK2CCR5HTTALDH1A1PTGER1
SCHEMBL8325570 0.74 PTGER1 (0.50) CCR5HTTALDH1A1SMN1; SMN2PTGER1
SCHEMBL8326543 0.74 LRRK2 (0.36) LRRK2
SCHEMBL11555954 0.74 LRRK2 (0.54) LRRK2
SCHEMBL11563128 0.73 LRRK2 (0.63) LRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed