SCHEMBL8977752

SCHEMBL8977752

C[Si](C)(C)c1nc2c(C(F)(F)F)cccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.37
MPL P40238 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
HPGD P15428 1/20 0.34
NOTUM Q6P988 1/20 0.33
PSMB8 P28062 1/20 0.33
SLC9A1 P19634 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL2747730 0.81 ALDH1A1 (0.56) AKR1B1ALDH1A1L3MBTL1PARP1MPL
SCHEMBL22891113 0.79 ALDH1A1 (0.43) AKR1B1ALDH1A1L3MBTL1PARP1MPL
SCHEMBL24818889 0.79 ALDH1A1 (0.40) AKR1B1ALDH1A1L3MBTL1PARP1MPL
SCHEMBL8977761 0.78 F2RL3 (0.47) ALDH1A1MPLSMN1; SMN2MEN1NPC1
SCHEMBL2748265 0.77 ALDH1A1 (0.39) AKR1B1ALDH1A1L3MBTL1PARP1MPL
SCHEMBL25367519 0.77 ALDH1A1 (0.39) AKR1B1ALDH1A1L3MBTL1PARP1MPL
SCHEMBL1913695 0.77 ALDH1A1 (0.61) AKR1B1ALDH1A1L3MBTL1MPLSMN1; SMN2
SCHEMBL22891451 0.75 ALDH1A1 (0.38) AKR1B1ALDH1A1L3MBTL1PARP1MPL
SCHEMBL25369141 0.73 PARP1 (0.39) AKR1B1ALDH1A1L3MBTL1PARP1MPL
SCHEMBL5591850 0.73 APP (0.44) AKR1B1ALDH1A1L3MBTL1SMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625973-B1 METHOD FOR PREPARING 2-AMINO-4-NITROBENZOTHIAZOLE DERIVATIVES AND INTERMEDIATES RHONE POULENC RORER SA (FR) 1996-05-01 EP disclosed
EP-0625973-A1 METHOD FOR PREPARING 2-AMINO 4-NITRO BENZOTHIAZOLE DERIVATIVES, AND INTERMEDIATES. RHONE POULENC RORER SA (FR) 1994-11-30 EP disclosed
WO-1993012100-A1 METHOD FOR PREPARING 2-AMINO 4-NITRO BENZOTHIAZOLE DERIVATIVES, AND INTERMEDIATES RHONE-POULENC RORER S.A. (FR) 1993-06-24 WO disclosed