SCHEMBL29779666

SCHEMBL29779666

CCCCc1cc(C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.50
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
HTR1A P08908 4/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA1B P35368 4/20 0.42
MEN1 O00255 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 1/20 0.41
GABRP O00591 1/20 0.41

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
SCHEMBL645891 1.00 NOS2 (0.50) NOS2UHRF1CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL28783127 0.98 NOS2 (0.49) NOS2UHRF1CCR1CCR5CCR8
Iodide SCHEMBL29869193 0.98 NOS2 (0.49) NOS2UHRF1CCR1CCR5CCR8
Phosphine SCHEMBL27841866 0.98 NOS2 (0.49) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL1030077 0.94 KDM4E (0.47) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL921653 0.94 KDM4E (0.47) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL29473921 0.94 KDM4E (0.47) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL28096091 0.93 NOS2 (0.45) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL2547957 0.92 KCNH2 (0.48) NOS2UHRF1CCR1CCR5CCR8
SCHEMBL28878273 0.92 KCNH2 (0.48) NOS2UHRF1CCR1CCR5CCR8

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
CN-111139117-B Lubricant composition containing an anti-flaking agent 协同油脂株式会社 2023-03-24 CN disclosed
EP-4037668-A1 SMALL MOLECULE INHIBITORS OF ID PROTEINS Memorial Sloan Kettering Cancer Center (US) 2022-08-10 EP disclosed