SCHEMBL2140681

SCHEMBL2140681

O=C(OCCN1CCNCC1)C1C2C=CC(C2)C1C(=O)OCCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL7736623 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7742317 0.85 KMT2A (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2142283 0.82 ATM (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7736626 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBTDP1MEN1
SCHEMBL2138120 0.81 ALDH1A1 (0.40) ALDH1A1POLBKDM4ETDP1MAPT
SCHEMBL7742320 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBKDM4EMEN1
SCHEMBL7744444 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBKDM4EMEN1
SCHEMBL8568547 0.74 KDM4E (0.47) ALDH1A1SMN1; SMN2POLBKDM4ETDP1
SCHEMBL9423512 0.73 MEN1 (0.46) ALDH1A1SMN1; SMN2POLBKDM4ETDP1
SCHEMBL5074339 0.73 MEN1 (0.35) ALDH1A1KDM4ETDP1MAPTMEN1

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
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