SCHEMBL2140504

SCHEMBL2140504

O=C(Oc1ccccn1)C1C2C=CC(C2)C1C(=O)Oc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 6/20 0.38
CYP2C19 P33261 1/20 0.38
FURIN P09958 1/20 0.38
LMNA P02545 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 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
SCHEMBL2139230 0.80 ALDH1A1 (0.46) MEN1KMT2AHPGDALDH1A1FURIN
SCHEMBL20558297 0.77 KMT2A (0.46) MEN1KMT2ASMN1; SMN2FURINLMNA
SCHEMBL1451490 0.75 ALDH1A1 (0.53) ALDH1A1CYP2C19TDP1HTTGAA
SCHEMBL3961185 0.74 CHRNB2 (0.40) ALDH1A1FURINLMNANAPRTP4HTM
SCHEMBL28737837 0.73 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2140141 0.72 HTT (0.43) KMT2ASMN1; SMN2ALDH1A1CYP2C19LMNA
SCHEMBL2523378 0.72 CES2 (0.43) KMT2ASMN1; SMN2ALDH1A1CYP2C19FURIN
SCHEMBL29944969 0.72 CES2 (0.43) KMT2ASMN1; SMN2ALDH1A1CYP2C19FURIN
SCHEMBL2474885 0.72 KMT2A (0.42) MEN1KMT2ASMN1; SMN2FURINLMNA
SCHEMBL5075645 0.72 FURIN (0.36) MEN1KMT2AHPGDALDH1A1FURIN

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