SCHEMBL9710376

SCHEMBL9710376

CCCCCCCCCCc1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PYCR1 P32322 1/20 0.43
PDPK1 O15530 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
MTNR1B P49286 1/20 0.39
HTR2A P28223 1/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 1/20 0.38
RARB P10826 2/20 0.37
RARA P10276 1/20 0.37

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
SCHEMBL13464625 1.00 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL13464690 1.00 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL30294101 1.00 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL223670 0.98 TYR (0.47) TYRTSHRMEN1KMT2ATP53
SCHEMBL6691430 0.93 TYR (0.47) TYRTSHRMEN1KMT2ATP53
SCHEMBL5404668 0.85 PYCR1 (0.47) PYCR1PDPK1MTNR1B
SCHEMBL27878175 0.83 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL27827947 0.83 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL7781660 0.83 TYR (0.42) TYRTSHRMEN1KMT2ATP53
SCHEMBL7786185 0.83 TYR (0.42) TYRTSHRMEN1KMT2ATP53

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-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed