SCHEMBL17414713

SCHEMBL17414713

OCc1cccc(C(Cl)(Cl)Cl)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PDK2 Q15119 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
P2RX7 Q99572 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PTGS2 P35354 1/20 0.31
AKR1B1 P15121 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
SCHEMBL10968547 0.82 AKR1B1 (0.31) AKR1B1
SCHEMBL1607338 0.82 AKR1B1 (0.42) PDK2P2RX7PTGS2AKR1B1
SCHEMBL10888499 0.81 APOBEC3G (0.44) APOBEC3GPDK2PDCD1CD274
SCHEMBL9627023 0.80 CA2 (0.45) APOBEC3GPDK2PDCD1CD274P2RX7
SCHEMBL29100970 0.78 ACE2 (0.36) NR4A2APOBEC3GPDK2PDCD1CD274
SCHEMBL16961227 0.78 APOBEC3G (0.44) NR4A2APOBEC3GPDK2PTGDR2PDCD1
SCHEMBL11599219 0.78 TSHR (0.41)
SCHEMBL92912 0.77 PNMT (0.41) NR4A2APOBEC3GPTGDR2P2RX7AKR1B1
SCHEMBL17414235 0.73 TAAR1 (0.47) GABRA1
SCHEMBL17696926 0.72 TSHR (0.39) GABRA1GABRB2

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-2935508-B1 TRACERS RESTRACK AS (NO) 2017-02-15 EP disclosed
US-20160003040-A1 Tracers Resman Technology AS (NO) 2016-01-07 US disclosed