SCHEMBL28067455

SCHEMBL28067455

O=C(O)N1CCN(C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.72
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
POLB P06746 1/20 0.63
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GPR183 P32249 2/20 0.56
ABL1 P00519 2/20 0.56
BCR P11274 2/20 0.56
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
MGLL Q99685 1/20 0.53
HSD11B1 P28845 1/20 0.53

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
SCHEMBL16149870 0.95 HPGD (0.66) HPGDCA12CA1CA2CA7
SCHEMBL971083 0.84 HPGD (1.00) HPGDCA12CA1CA2CA7
SCHEMBL644199 0.84 HPGD (0.92) HPGDCA12CA1CA2CA7
SCHEMBL578679 0.83 POLB (0.87) HPGDCA12CA1CA2CA7
SCHEMBL12621027 0.83 POLB (0.87) HPGDCA12CA1CA2CA7
SCHEMBL2646094 0.83 HPGD (0.70) HPGDCA12CA1CA2CA7
SCHEMBL28219187 0.83 HPGD (0.70) HPGDCA12CA1CA2CA7
SCHEMBL24185725 0.82 HPGD (0.96) HPGDCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL21590292 0.82 HPGD (0.89) HPGDCA12CA1CA2CA7
SCHEMBL969583 0.82 HPGD (0.96) HPGDCA12CA1CA2CA7

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
CN-105492008-A Novel compounds and compositions for inhibition of fasn FORMA THERAPEUTICS INC 2016-04-13 CN disclosed
CN-101155799-A Pyrimidine inhibitors of kinases TARGEGEN INC (US) 2008-04-02 CN disclosed