SCHEMBL4473590

SCHEMBL4473590

O=[C]c1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCO2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.55
NR1H3 Q13133 6/20 0.48
NR1H2 P55055 5/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 2/20 0.41
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
MMP2 P08253 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NR1I2 O75469 3/20 0.38

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
SCHEMBL4473596 0.83 RORC (0.55) RORCNR1H3NR1H2MEN1KMT2A
SCHEMBL2001670 0.81 RORC (0.58) RORCNR1H3NR1H2MEN1KMT2A
SCHEMBL2005182 0.80 RORC (0.60) RORCNR1H3NR1H2MEN1KMT2A
SCHEMBL1998257 0.79 CCR6 (0.48) RORCNR1H3NR1H2PKMPKLR
SCHEMBL2008021 0.78 RORC (0.49) RORCNR1H3NR1H2HTR6ALDH1A1
SCHEMBL12569920 0.78 RORC (0.57) RORCNR1H3NR1H2PKMALDH1A1
SCHEMBL2002480 0.77 RORC (0.46) RORCNR1H3NR1H2HTR6PKM
SCHEMBL2002479 0.77 RORC (0.46) RORCNR1H3NR1H2HTR6PKM
SCHEMBL2002477 0.76 RORC (0.45) RORCNR1H3NR1H2HTR6PKM
SCHEMBL2002159 0.75 RORC (0.53) RORCNR1H3NR1H2KMT2AALDH1A1

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-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 WO disclosed