SCHEMBL28058807

SCHEMBL28058807

COC(=O)c1cccn1CC(=S)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 3/20 0.45
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
ELANE P08246 1/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 6/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 5/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 4/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28058908 0.88 CA1 (0.46) ALDH1A1KDM4ELMNARECQLMAPT
SCHEMBL2330773 0.86 KDM4E (0.70) ALDH1A1KDM4ELMNAF2PLAU
SCHEMBL28058971 0.83 RECQL (0.47) ALDH1A1KDM4ELMNARECQLMAPT
SCHEMBL12803579 0.79 VEGFA (0.51) ALDH1A1KDM4ERECQLMAPTKMT2A
SCHEMBL9589872 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ELMNARECQLMAPT
SCHEMBL12391316 0.75 ALDH1A1 (0.42) ALDH1A1KDM4ELMNARECQLMAPT
SCHEMBL31373551 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ELMNARECQLMAPT
SCHEMBL2334312 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ELMNARECQLMAPT
SCHEMBL2330297 0.74 KDM4E (0.57) ALDH1A1KDM4ELMNAELANETDP1
SCHEMBL29190981 0.73 F2 (0.56) ALDH1A1KDM4ELMNAF2PLAU

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
CN-102844318-B Be used for the treatment of the compound of respiratory syncytial virus infection BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2016-04-13 CN disclosed