SCHEMBL16429762

SCHEMBL16429762

Nc1cc(Br)ccc1CNCCO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 4/20 0.49
USP25 Q9UHP3 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
STAT3 P40763 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CXCR4 P61073 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
SCHEMBL6338288 0.82 MAPK1 (0.38) USP28USP25MAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6339523 0.81 ALDH1A1 (0.41) USP28USP25MAPK1HTTSMN1; SMN2
SCHEMBL31575955 0.81 USP28 (0.51) USP28USP25MAPK1HTTSMN1; SMN2
SCHEMBL4123546 0.79 CCR5 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1CA12
SCHEMBL31155264 0.77 KDM4E (0.42) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2540684 0.76 KDM4E (0.38) MAPK1MEN1KMT2AALDH1A1
SCHEMBL754025 0.75 KDM4E (0.41) MAPK1MEN1KMT2AALDH1A1
SCHEMBL4115232 0.74 SLC6A4 (0.45) MEN1KMT2AALDH1A1
SCHEMBL3594118 0.73 GAA (0.49) HTTMEN1KMT2AALDH1A1CA12
SCHEMBL27654704 0.72 ALDH1A1 (0.42) KMT2ALMNAALDH1A1

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
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed