SCHEMBL28009558

SCHEMBL28009558

CCCS(=O)(=O)O.Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 2/20 0.36
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
CYP2C19 P33261 2/20 0.32
BLM P54132 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SLC6A6 P31641 1/20 0.32
KDM4E B2RXH2 5/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR2 O95136 1/20 0.32

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
Sulfuric Acid SCHEMBL8521097 0.82 ALDH1A1 (0.70) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL14935828 0.80 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL574611 0.78 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL14935721 0.77 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL574004 0.76 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRTDP1
Sulfuric Acid SCHEMBL11142659 0.76 ALDH1A1 (0.48) ALDH1A1TP53CYP3A4TSHRTDP1
Alcohol SCHEMBL28227179 0.75 ALDH1A1 (0.74) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL8654581 0.75 TDP1 (0.44) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL753887 0.75 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL17668123 0.75 ALDH1A1 (0.58) ALDH1A1TP53CYP3A4TSHRTDP1

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
CN-104650245-A Fused folate-binding protein, gene sequence and kit SHENZHEN NEW IND BIOMEDICAL ENGINEERING CO LTD 2015-05-27 CN claimed
CN-104628843-A Thyroid-stimulating hormone receptor protein, gene sequence and kit thereof SHENZHEN NEW IND BIOMEDICAL ENGINEERING CO LTD 2015-05-20 CN claimed
CN-104650245-A Fused folate-binding protein, gene sequence and kit SHENZHEN NEW IND BIOMEDICAL ENGINEERING CO LTD 2015-05-27 CN disclosed
CN-104628843-A Thyroid-stimulating hormone receptor protein, gene sequence and kit thereof SHENZHEN NEW IND BIOMEDICAL ENGINEERING CO LTD 2015-05-20 CN disclosed