SCHEMBL7653224

SCHEMBL7653224

[CH2]CCCc1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PARP1 P09874 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
RAB9A P51151 1/20 0.31
RCE1 Q9Y256 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 1/20 0.31
POLB P06746 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
BACE1 P56817 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL7654134 0.95 DPP4 (0.33) DPP4PDCD1CD274PARP1GPR84
SCHEMBL7651876 0.93 CHRNA7 (0.33) DPP4PDCD1CD274PARP1GPR84
SCHEMBL7650202 0.89 DPP4 (0.36) DPP4PDCD1CD274PARP1RAB9A
SCHEMBL2048620 0.81 DPP4 (0.45) DPP4PDCD1CD274HPGDALDH1A1
SCHEMBL7648144 0.80 DPP4 (0.39) DPP4PDCD1CD274PARP1RAB9A
SCHEMBL27453595 0.80 LIPG (0.43) GPR84HPGDKDM4EMEN1ALDH1A1
SCHEMBL3026186 0.79 DPP4 (0.52) DPP4PDCD1CD274HPGDALDH1A1
SCHEMBL7653475 0.77 CNR2 (0.39) HPGDKDM4EALDH1A1
SCHEMBL11057507 0.77 ALDH1A1 (0.41) DPP4PDCD1CD274RAB9ARCE1
SCHEMBL7654607 0.76 CYP1A2 (0.50) GPR84ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed