SCHEMBL9472008

SCHEMBL9472008

NCCSCCSCCO

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
THPO P40225 1/20 0.37
MAPT P10636 4/20 0.35
EHMT2 Q96KQ7 1/20 0.35
NOS1 P29475 1/20 0.33
ROCK2 O75116 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL552212 0.97
Hydrochloric Acid SCHEMBL9400248 0.94
SCHEMBL2167614 0.83 TSHR (0.50) TDP1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL3900037 0.83 TDP1 (0.91) TDP1TSHRCYP1A2ROCK2LMNA
SCHEMBL9638413 0.83 TDP1 (0.91) TDP1TSHRCYP1A2ROCK2LMNA
SCHEMBL11559954 0.83 TSHR (0.50) TDP1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL195715 0.83 TDP1 (0.91) TDP1TSHRCYP1A2ROCK2LMNA
SCHEMBL11559335 0.83 TSHR (0.50) TDP1TSHRALDH1A1CYP1A2CYP2C19
Water SCHEMBL8165188 0.79 TDP1 (0.83) TDP1TSHRROCK2LMNASMN1; SMN2
Hydrogen Sulfide SCHEMBL11047600 0.79 TDP1 (0.83) TDP1TSHRROCK2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5105673-A None JP disclosed
EP-4276090-A1 CATIONIC LIPID, LIPOSOME CONTAINING CATIONIC LIPID, AND NUCLEIC-ACID PHARMACEUTICAL COMPOSITION CONTAINING LIPOSOME AND PREPARATION AND APPLICATION THEREOF Xiamen Sinopeg Biotech Co., Ltd. (CN) 2023-11-15 EP disclosed
JP-H05105673-A THIOETHER COMPOUND AND ITS USE IN PHOTOGRAPHY MITSUBISHI PAPER MILLS LTD 1993-04-27 JP disclosed