SCHEMBL19225680

SCHEMBL19225680

CCNCCCCOC(CBr)OCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.35
KDM1A O60341 5/20 0.34
SAT1 P21673 1/20 0.31
HTT P42858 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
Bromoacetal SCHEMBL103234 0.73
SCHEMBL25644246 0.71 TSHR (0.45) CYP2C19CYP1A2MEN1GLAKMT2A
Bromoacetal SCHEMBL11383920 0.71 THRB (0.42)
SCHEMBL27929925 0.70 DNM1 (0.54) GLATSHRHTT
SCHEMBL28800989 0.69 DNM1 (0.47) GLATSHRHTT
SCHEMBL13492945 0.68 CYP2C19 (0.55) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL13185663 0.68 CYP2C19 (0.38) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL15442502 0.67 CYP2C19 (0.60) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL27577082 0.67 CYP2C19 (0.35) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL12380906 0.66 CYP2C19 (0.52) CYP2C19CYP1A2MEN1GLAKMT2A

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-2847186-B1 SUBSTITUTED AMINOQUINAZOLINES USEFUL AS KINASES INHIBITORS TELIGENE LTD (CN) 2017-08-09 EP disclosed