SCHEMBL5593134

SCHEMBL5593134

Cc1cccc(-n2nnnc2SCCCC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.77
L3MBTL1 Q9Y468 5/20 0.77
LMNA P02545 6/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
HTT P42858 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.51
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
JAK2 O60674 1/20 0.49
USP2 O75604 1/20 0.49
ALPL P05186 1/20 0.49
POLB P06746 1/20 0.49
ALPG P10696 1/20 0.49
RECQL P46063 1/20 0.49
PKM P14618 3/20 0.49
TSHR P16473 3/20 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
SCHEMBL14605811 0.88 MAPT (0.67) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL10970735 0.79 ALDH1A1 (0.84) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL14605802 0.78 ALPL (0.59) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL17708397 0.77 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL9775196 0.76 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL1612844 0.75 POLB (0.73) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL14606116 0.75 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL14605822 0.74 CPB1 (0.76) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL14605816 0.74 MAPT (0.80) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL10672908 0.73 ALDH1A1 (0.69) ALDH1A1L3MBTL1LMNASMN1; SMN2TDP1

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
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed