SCHEMBL9724223

SCHEMBL9724223

CCCCCN(CCCCC)c1ccccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
RECQL P46063 1/20 0.40
CNR2 P34972 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.36
SERPINE1 P05121 1/20 0.36
MYC P01106 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
ICMT O60725 1/20 0.35
ALB P02768 1/20 0.35

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
SCHEMBL1223078 0.81 MYC (0.41) CA12CA9ALDH1A1TDP1TSHR
SCHEMBL10778123 0.81 CNR2 (0.41) ALDH1A1TP53RECQLCNR2TDP1
SCHEMBL11142863 0.80 KMT2A (0.50) CA9ALDH1A1RECQLTSHRNPC1
SCHEMBL9278064 0.78 KCNH2 (0.44) ALDH1A1TP53TDP1NPC1JAK2
SCHEMBL6856545 0.77 KMT2A (0.42) CA12CA9ALDH1A1RECQLTDP1
SCHEMBL6567717 0.77 ALDH1A1 (0.52) ALDH1A1TP53CNR2TDP1TSHR
SCHEMBL9798892 0.77 KCNH2 (0.47) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL11845023 0.76 HTR6 (0.58) TDP1
SCHEMBL6567797 0.75 ALDH1A1 (0.50) ALDH1A1TP53CNR2TDP1TSHR
SCHEMBL6568005 0.75 ALDH1A1 (0.50) ALDH1A1TP53CNR2TDP1TSHR

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
US-5175262-A High fixation efficiency on cotton BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed