SCHEMBL27735342

SCHEMBL27735342

O=C(Cl)c1cc2ccocc-2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
ERN1 O75460 3/20 0.42
CNR1 P21554 1/20 0.41
SERPINE1 P05121 1/20 0.41
HDAC2 Q92769 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
P2RY14 Q15391 1/20 0.38
ADORA1 P30542 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRNA4 P43681 2/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL27623964 0.83 CNR2 (0.57) CNR2ERN1CNR1SERPINE1HDAC2
SCHEMBL27624039 0.82 P2RY14 (0.52) CNR2ERN1SERPINE1HDAC2ADORA2A
SCHEMBL5737770 0.80 ADORA2A (0.46) CNR2ERN1CNR1SERPINE1HDAC2
SCHEMBL7912 0.76
SCHEMBL11259261 0.76
SCHEMBL27605040 0.73 CNR2 (0.55) CNR2ERN1CNR1SERPINE1HDAC2
SCHEMBL8442653 0.72 P2RY14 (0.58) CNR2ERN1SERPINE1HDAC2ADORA2A
SCHEMBL28183119 0.72 CA12 (0.50) NR4A2
SCHEMBL419097 0.72 KMO (0.61) CNR2ERN1CNR1SERPINE1HDAC2
SCHEMBL26932919 0.72 ERN1 (0.36) CNR2ERN1CNR1SERPINE1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109137600-A A kind of preparation method of vanadium doping antibacterial papermaking material 高利花 2019-01-04 CN claimed
CN-109137600-A A kind of preparation method of vanadium doping antibacterial papermaking material 高利花 2019-01-04 CN disclosed
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 CN disclosed
CN-101316853-A Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-12-03 CN disclosed
CN-101282974-A Benzimidazole derivatives as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC (US) 2008-10-08 CN disclosed
CN-101277963-A Benzimidazole derivatives as SIRTUIN modulators SIRTIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed
CN-101277965-A Imidazo [2, 1-b ] thiazole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC (US) 2008-10-01 CN disclosed