SCHEMBL2139392

SCHEMBL2139392

O=C(Oc1ccncc1)C1CC2C=CC1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL201849 0.84 ALDH1A1 (0.51) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL2139966 0.83 GAA (0.42) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL10099684 0.82 ALDH1A1 (0.47) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL11348296 0.82 ALDH1A1 (0.44) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL11339493 0.82 LMNA (0.46) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL13888468 0.82 ALDH1A1 (0.44) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL4107319 0.79 KMT2A (0.47) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL17843609 0.79 ALDH1A1 (0.44) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL13888467 0.78 ALDH1A1 (0.50) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL5068758 0.78 ALDH1A1 (0.42) LMNAKDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148484-B2 Poly(bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-(tert-butylamino)ethyl ester); Poly(bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-(dimethylamino)ethyl ester); used for disinfecting, sterilizing, and preventing biofouling in closed or open industrial-water systems and cooling-water systems KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2012-04-03 US disclosed
US-20080251460-A1 Biocidal Polymers KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2008-10-16 US disclosed
EP-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed