SCHEMBL14684367

SCHEMBL14684367

O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(OCOP(=O)(O)O)c(Br)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK14 Q16539 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL14684357 0.90 SMPD1 (0.48) SMPD1KMT2APOLBLMNASMN1; SMN2
SCHEMBL14684418 0.86 SMPD1 (0.46) SMPD1KMT2APOLBLMNASMN1; SMN2
Iowh-032 SCHEMBL1114552 0.85 SMPD1 (0.51) SMPD1KMT2APOLBLMNASMN1; SMN2
SCHEMBL14684358 0.84 KMT2A (0.45) SMPD1KMT2APOLBLMNASMN1; SMN2
SCHEMBL16727928 0.84 KMT2A (0.52) SMPD1KMT2APOLBLMNASMN1; SMN2
SCHEMBL14684460 0.82 SMPD1 (0.47) SMPD1KMT2APOLBLMNASMN1; SMN2
SCHEMBL14684360 0.81 SMPD1 (0.47) SMPD1KMT2APOLBLMNASMN1; SMN2
SCHEMBL18286123 0.80 SMPD1 (0.58) SMPD1KMT2APOLBLMNASMN1; SMN2
SCHEMBL1114330 0.79 KMT2A (0.51) SMPD1KMT2APOLBLMNASMN1; SMN2
SCHEMBL31591596 0.77 KMT2A (0.52) SMPD1KMT2APOLBLMNASMN1; SMN2

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-2013019169-A1 PHOSPHATE PRODRUGS INSTITUTE FOR ONEWORLD HEALTH (US) 2013-02-07 WO disclosed