SCHEMBL28287666

SCHEMBL28287666

O=S(=O)(c1ccccc1)c1conn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.48
AKR1B1 P15121 1/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AGTR1 P30556 1/20 0.39
PKM P14618 2/20 0.39
ABCB1 P08183 2/20 0.37
ABCC1 P33527 2/20 0.37
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 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
SCHEMBL10354233 0.74 HTR6 (0.62) HTR6AKR1B1TSHRALDH1A1HSD17B10
SCHEMBL6403890 0.71 HTR6 (0.50) HTR6AKR1B1TSHRALDH1A1HSD17B10
SCHEMBL31345714 0.69 HTR6 (0.54) HTR6AKR1B1TSHRALDH1A1HSD17B10
SCHEMBL28965981 0.69 HTR6 (0.48) HTR6AKR1B1TSHRALDH1A1HSD17B10
SCHEMBL16369913 0.69 HTR6 (0.59) HTR6AKR1B1TSHRALDH1A1HSD17B10
SCHEMBL27469595 0.69
(Phenylsulfonyl)Benzene SCHEMBL29473549 0.68 HTR6 (1.00) HTR6TSHRALDH1A1HSD17B10TDP1
(Phenylsulfonyl)Benzene SCHEMBL29775288 0.68 HTR6 (1.00) HTR6TSHRALDH1A1HSD17B10TDP1
(Phenylsulfonyl)Benzene SCHEMBL13735236 0.68 HTR6 (1.00) HTR6TSHRALDH1A1HSD17B10TDP1
(Phenylsulfonyl)Benzene SCHEMBL29450723 0.68 HTR6 (1.00) HTR6TSHRALDH1A1HSD17B10TDP1

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-113874081-A High-affinity anti-MERKT antibodies and uses thereof 茵思博纳公司 2021-12-31 CN disclosed
CN-113795263-A Engineered erythroid cells comprising loadable antigen-presenting polypeptides and methods of use 鲁比厄斯治疗法股份有限公司 2021-12-14 CN disclosed
CN-111491670-A Radiolabelling of polypeptides 詹森生物科技公司 2020-08-04 CN disclosed
CN-109641038-A The conjugate of target cell surface editor 小利兰·斯坦福大学理事会 2019-04-16 CN disclosed