SCHEMBL20976540

SCHEMBL20976540

O=C(c1cccc([S+]([O-])Nc2ccccc2F)c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 4/20 0.51
LMNA P02545 1/20 0.51
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7602380 0.78 ALDH1A1 (0.74) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL20976503 0.77 MEN1 (0.52) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL20976557 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4323101 0.73 ALDH1A1 (0.75) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL24288982 0.73 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL13601160 0.73 ALDH1A1 (0.79) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL20976529 0.71 TSHR (0.64) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL20976534 0.71 TSHR (0.54) ALDH1A1MEN1KMT2APOLBHSD17B10
SCHEMBL20976512 0.71 MEN1 (0.58) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL11637 0.70 SMN1; SMN2 (0.65) ALDH1A1KMT2ASMN1; SMN2HSD17B10TSHR

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
EP-2406389-B1 METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS AGIOS PHARMACEUTICALS INC (US) 2019-05-08 EP disclosed