SCHEMBL5316403

SCHEMBL5316403

Nc1c(Br)cc(C(=O)O)c2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.37
GLA P06280 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL27942442 0.82 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGLAHTR4PRMT1
SCHEMBL5318231 0.80 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EGLAHTR4PRMT1
SCHEMBL2946654 0.79 HTR4 (0.45) SMN1; SMN2KDM4EHTR4KMT2AXDH
SCHEMBL2944408 0.79 HTR4 (0.50) HTR4LMNA
SCHEMBL5316783 0.77 HTR4 (0.47) KDM4EGAAHTR4MEN1KMT2A
SCHEMBL7413113 0.76 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EGLA
SCHEMBL24104857 0.76 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EGLACA12CA1
SCHEMBL31156007 0.74 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTAKR1C4AKR1C3
SCHEMBL10792029 0.71 KDM4E (0.48) SMN1; SMN2KDM4ECA12CA1CA2
SCHEMBL9053612 0.70 KDM4E (0.42) SMN1; SMN2KDM4EGAAMAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007068739-A1 4-AMINO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-21 WO disclosed