SCHEMBL23964485

SCHEMBL23964485

Cc1cc(I)ccc1NBr

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
MAP2K1 Q02750 4/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
PTK2 Q05397 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRA P18433 1/20 0.32
PTPRB P23467 1/20 0.32
PTPRE P23469 1/20 0.32
PTPN6 P29350 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23888018 0.82 PTK2 (0.33) IDO1RAPGEF4PTK2GAA
SCHEMBL20375230 0.79 IDO1 (0.41) IDO1MAP2K1RAPGEF4PTK2PTPRC
SCHEMBL20375142 0.79 IDO1 (0.41) IDO1MAP2K1RAPGEF4PTK2PTPRC
SCHEMBL6561965 0.77 IDO1 (0.40) IDO1MAP2K1RAPGEF4PTK2PTPRC
SCHEMBL10564036 0.76 RAPGEF4 (0.56) RAPGEF4GAAMEN1KMT2ATDP1
SCHEMBL18618504 0.74 IDO1 (0.38) IDO1MAP2K1RAPGEF4PTK2PTPRC
SCHEMBL18618506 0.74 IDO1 (0.38) IDO1MAP2K1RAPGEF4PTK2PTPRC
SCHEMBL13783444 0.74 CYP3A4 (0.46) IDO1MAP2K1PTPRCPTPN2PTPN1
SCHEMBL8064140 0.73 ALDH1A1 (0.44) MEN1KMT2ATDP1
SCHEMBL3219456 0.72 IDO1 (0.50) IDO1PTPRCPTPN2PTPN1PTPRA

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-2021213518-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES 复旦大学 (CN) 2021-10-28 WO disclosed