SCHEMBL9435249

SCHEMBL9435249

Cc1nc(-c2ccc(Br)c(C)c2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
GAA P10253 4/20 0.58
RECQL P46063 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
POLB P06746 2/20 0.58
HPGD P15428 2/20 0.58
ESR2 Q92731 1/20 0.58
TSHR P16473 1/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 1/20 0.53
ROCK2 O75116 1/20 0.51
PIM1 P11309 1/20 0.51
GSK3B P49841 1/20 0.51
AURKB Q96GD4 1/20 0.51
GFER P55789 1/20 0.51
HTT P42858 1/20 0.47
TRIM24 O15164 1/20 0.47

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
SCHEMBL16346609 0.85 RAB9A (0.57) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL1764528 0.84 GAA (0.64) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL1765084 0.80 MAPT (0.64) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL8256648 0.79 GAA (0.58) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL10242015 0.79 GAA (0.78) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL1764592 0.78 RAB9A (0.61) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL3346281 0.76 RECQL (0.61) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL22051446 0.76 MAPT (0.55) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL4821852 0.76 ALDH1A1 (0.68) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL1765099 0.76 ALDH1A1 (0.58) MAPTGAARECQLALDH1A1KDM4E

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-1994015920-A1 BENZANILIDE DERIVATIVES AS 5-HT1D-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1994-07-21 WO disclosed