SCHEMBL2140141

SCHEMBL2140141

O=C(Oc1ccncc1)C1C2C=CC(C2)C1C(=O)Oc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 3/20 0.36
GAA P10253 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
CYP17A1 P05093 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL1451490 0.82 ALDH1A1 (0.53) HTTTDP1ALDH1A1CYP2C19GAA
SCHEMBL2138013 0.81 KMT2A (0.44) TDP1POLBHSD17B10USP2KMT2A
SCHEMBL5837423 0.78 ALDH1A1 (0.57) HTTTDP1POLBSMN1; SMN2KMT2A
SCHEMBL5837417 0.78 ALDH1A1 (0.57) HTTTDP1POLBSMN1; SMN2KMT2A
SCHEMBL2139392 0.78 LMNA (0.42) HTTTDP1POLBHSD17B10SMN1; SMN2
SCHEMBL7091327 0.77 POLB (0.46) HTTTDP1POLBHSD17B10USP2
SCHEMBL20558316 0.74 KMT2A (0.62) HTTTDP1POLBHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL28617837 0.73 KMT2A (0.60) HTTTDP1POLBHSD17B10SMN1; SMN2
SCHEMBL2140504 0.72 MEN1 (0.39) HTTTDP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL12929282 0.71 ALDH1A1 (0.60) HTTSMN1; SMN2KMT2AALDH1A1GAA

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