SCHEMBL15775729

SCHEMBL15775729

O=C1N=C(c2ccc(Br)cc2)Cc2c(F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.35
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
PTPRC P08575 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TYR P14679 1/20 0.32
MAOB P27338 1/20 0.32
SRD5A1 P18405 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TYMS P04818 1/20 0.31
PTGES O14684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL15775298 0.87 ALDH1A1 (0.38) SMN1; SMN2TYRMAOBSRD5A1ALDH1A1
SCHEMBL15775290 0.86 RAB9A (0.38) PDE3BPDE3ASMN1; SMN2MAOBALDH1A1
SCHEMBL15775479 0.86 NOTUM (0.39) TYRMAOBGAA
SCHEMBL15775423 0.83 PDCD1 (0.38) CHRM5PDE3BPDE3AMAOB
SCHEMBL15775414 0.83 SMN1; SMN2 (0.38) PTPRCSMN1; SMN2TYRMAOBALDH1A1
SCHEMBL15775756 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL4774575 0.76 MAOA (0.40) PTPRCSMN1; SMN2MAOBALDH1A1TSHR
Bromide SCHEMBL15775833 0.73 RXFP1 (0.34) PDE3BPDE3ASMN1; SMN2TYRMAOB
SCHEMBL15775398 0.71 RAB9A (0.40) SMN1; SMN2TYRALDH1A1TSHRADORA3
SCHEMBL15775915 0.70 MAPT (0.40) PTPRCSMN1; SMN2ALDH1A1GAA

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed