SCHEMBL10567415

SCHEMBL10567415

Cc1cc(Cl)nc(C2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.41
CTSK P43235 3/20 0.39
CTSS P25774 2/20 0.39
HRH4 Q9H3N8 5/20 0.39
PSD A5PKW4 2/20 0.39
TLR8 Q9NR97 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NR1I2 O75469 1/20 0.37
KDM4B O94953 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
DOHH Q9BU89 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL31275319 0.90 PDE10A (0.38) PSMB5HRH4PSDNPC1RAB9A
SCHEMBL5534390 0.82 KDM5A (0.31) PSMB5
SCHEMBL27268161 0.81 DRD4 (0.40) HRH4
SCHEMBL12250775 0.79 HRH4 (0.42) PSMB5CTSKCTSSHRH4TLR8
SCHEMBL3214532 0.77 HRH4 (0.41) CTSKCTSSHRH4PSDTLR8
SCHEMBL19771672 0.77 HRH4 (0.41) CTSKCTSSHRH4PSDTLR8
SCHEMBL3229097 0.75 HRH4 (0.42) CTSKCTSSHRH4PSDTLR8
SCHEMBL8321238 0.74 HRH4 (0.59) HRH4
SCHEMBL18557016 0.74 NPC1 (0.42) PSMB5NPC1RAB9AL3MBTL1CASP3
SCHEMBL22271218 0.74 NPC1 (0.42) PSMB5NPC1RAB9AL3MBTL1CASP3

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
US-4824846-A FUNGICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-25 US disclosed
EP-0237963-A2 2-Azolylmethyl-2-aryl-1,3-dioxolanes and their salts, processes for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP disclosed