SCHEMBL9756844

SCHEMBL9756844

Cc1cc(S(=O)(=O)c2ccc(I)cc2)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.54
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
CCR2 P41597 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL5524384 0.89 ALDH1A1 (0.50) RAPGEF4ALDH1A1LMNAKMT2AMEN1
SCHEMBL2910454 0.82 HTR2C (0.44) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL8978670 0.80 RAPGEF4 (0.56) RAPGEF4ALDH1A1LMNAKMT2AMEN1
SCHEMBL15460389 0.76 LMNA (0.64) RAPGEF4ALDH1A1LMNAKMT2AMEN1
SCHEMBL896933 0.76 RAPGEF4 (0.56) RAPGEF4ALDH1A1LMNAKMT2AMEN1
SCHEMBL29421567 0.75 LMNA (0.49) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL394533 0.75 LMNA (0.49) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL851152 0.75 CA2 (0.55) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL8142964 0.74 CA2 (0.50) RAPGEF4ALDH1A1LMNAGAAMAPT
SCHEMBL12755316 0.74 GAA (0.76) RAPGEF4ALDH1A1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045629-A Contacting with steam PHILLIPS PETROLEUM COMPANY (US) 1991-09-03 US disclosed
US-5037954-A Method to recover liquified poly(arylene sulfide) with separation agent PHILLIPS PETROLEUM COMPANY (US) 1991-08-06 US disclosed
EP-0436120-A2 Method to recover poly(arylene sulfide)s PHILLIPS PETROLEUM COMPANY (US) 1991-07-10 EP disclosed
US-4963651-A VAPOR PHASE SEPARATION; COOLING, SOLIDIFYING, SLURRYING PHILLIPS PETROLEUM COMPANY (US) 1990-10-16 US disclosed