SCHEMBL2139966

SCHEMBL2139966

O=C(Oc1cccnc1)C1CC2C=CC1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KMT2A Q03164 6/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 7/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 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
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
CCNC P24863 1/20 0.39

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
SCHEMBL2139392 0.83 LMNA (0.42) GAAKMT2AALDH1A1RAB9AKDM4E
SCHEMBL201849 0.83 ALDH1A1 (0.51) KMT2AALOX15ALDH1A1RAB9AKDM4E
SCHEMBL2138013 0.80 KMT2A (0.44) GAAKMT2AALOX15ALDH1A1KDM4E
SCHEMBL5076187 0.79 GAA (0.41) GAAKMT2AALOX15ALDH1A1KDM4E
SCHEMBL6723704 0.76 LMNA (0.49) KMT2AALDH1A1RAB9AMAPTPOLB
SCHEMBL4107319 0.75 KMT2A (0.47) KMT2AALOX15ALDH1A1RAB9AKDM4E
SCHEMBL10099684 0.74 ALDH1A1 (0.47) KMT2AALDH1A1RAB9AKDM4EMAPT
SCHEMBL13888468 0.74 ALDH1A1 (0.44) GAAKMT2AALDH1A1RAB9AKDM4E
SCHEMBL11348296 0.74 ALDH1A1 (0.44) KMT2AALDH1A1RAB9AKDM4EPOLB
SCHEMBL11339493 0.74 LMNA (0.46) KMT2AALDH1A1RAB9AKDM4EMAPT

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