SCHEMBL28355210

SCHEMBL28355210

Cc1cc(-c2cc(N)c(N)c(C)c2S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 5/20 0.38
RECQL P46063 4/20 0.38
TP53 P04637 3/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
APP P05067 2/20 0.38
THRB P10828 2/20 0.38
SNCA P37840 2/20 0.38
BLM P54132 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL28965807 0.84 ALDH1A1 (0.38) MEN1KMT2AALDH1A1RECQLTP53
SCHEMBL30508542 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1RECQLTP53
SCHEMBL29035724 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1RECQLTP53
SCHEMBL9854182 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1RECQLTP53
SCHEMBL9280690 0.71 ALDH1A1 (0.36) MEN1KMT2AALDH1A1RECQLTP53
SCHEMBL4651598 0.70 ALDH1A1 (0.50) MEN1KMT2AALDH1A1RECQLTP53
SCHEMBL27487602 0.69 ALDH1A1 (0.42) ALDH1A1RECQLTP53CYP3A4HPGD
SCHEMBL9339093 0.69 SENP7 (0.43) MEN1KMT2AALDH1A1RECQLTP53
SCHEMBL8082214 0.69 AURKA (0.43) MEN1KMT2AALDH1A1RECQLTP53
SCHEMBL158650 0.69 L3MBTL1 (0.68) MEN1KMT2AALDH1A1RECQLTP53

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
CN-106365345-B Treatment method of fracturing flowback fluid of oil and gas field 河南油田工程咨询股份有限公司 2020-01-14 CN disclosed