SCHEMBL16401372

SCHEMBL16401372

CCCCOC(=O)N1CCCCC1c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.48
SIGMAR1 Q99720 7/20 0.48
ROCK2 O75116 2/20 0.46
CFB P00751 1/20 0.44
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL22721972 0.83 TMEM97 (0.56) TMEM97SIGMAR1PARP14PARP10
SCHEMBL29540420 0.83 TMEM97 (0.56) TMEM97SIGMAR1PARP14PARP10
SCHEMBL17782219 0.82 NR1H2 (0.51) ROCK2CFBCPT2CPT1ACA12
SCHEMBL16401682 0.79 ROCK2 (0.49) TMEM97SIGMAR1ROCK2CFBCPT2
SCHEMBL12478146 0.79 TMEM97 (0.49) TMEM97SIGMAR1KMT2ALMNATP53
SCHEMBL30611182 0.77 LMNA (0.57) KMT2ALMNAALDH1A1KDM4E
SCHEMBL3378097 0.76 TMEM97 (0.51) TMEM97SIGMAR1CFBKMT2ATP53
SCHEMBL31421713 0.75 LMNA (0.47) TMEM97SIGMAR1KMT2ALMNAALDH1A1
SCHEMBL28210587 0.73 CFB (0.60) ROCK2CFBCPT2CPT1AKMT2A
SCHEMBL8303313 0.72 TMEM97 (0.58) TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022192-A1 PIPERIDINYL INDOLE DERIVATIVES AND THEIR USE AS COMPLEMENT FACTOR B INHIBITORS Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009616-A1 PIPERIDINYL INDOLE DERIVATIVES AND THEIR USE AS COMPLEMENT FACTOR B INHIBITORS NOVARTIS AG (CH) 2015-01-22 WO disclosed