SCHEMBL8680267

SCHEMBL8680267

O=C(NCCc1cc(Br)ccc1OCc1ccccc1)c1cccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.49
CCR5 P51681 1/20 0.48
USP28 Q96RU2 1/20 0.48
USP25 Q9UHP3 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 2/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGER1 P34995 2/20 0.46
LMNA P02545 1/20 0.45
PTGS2 P35354 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL28347913 0.75 SMN1; SMN2 (0.56) KMT2APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL8680269 0.75 PTGER1 (0.48) LRRK2CCR5USP28USP25HTT
SCHEMBL17700673 0.74 USP28 (0.50) CCR5USP28USP25HTTMTNR1B
SCHEMBL8677028 0.74 NPC1 (0.67) USP28USP25KMT2AMTNR1BALDH1A1
SCHEMBL18892489 0.73 LMNA (0.53) CCR5USP28USP25HTTALDH1A1
SCHEMBL8676639 0.73 USP28 (0.52) CCR5USP28USP25KMT2AHTT
SCHEMBL8323808 0.72 CCR5 (0.47) LRRK2CCR5USP28USP25HTT
SCHEMBL16294058 0.72 PTGER1 (0.64) CCR5USP28USP25HTTALDH1A1
SCHEMBL8321883 0.72 PTGER1 (0.47) LRRK2CCR5USP28USP25HTT
SCHEMBL8319969 0.72 USP28 (0.53) LRRK2CCR5USP28USP25KMT2A

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
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed