SCHEMBL21753071

SCHEMBL21753071

CC(C)(C)OC(=O)c1ccc(N2CCNCC2[N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GPR119 Q8TDV5 4/20 0.34
ADRB1 P08588 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
HPGD P15428 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
SRD5A1 P18405 1/20 0.31
HTR2C P28335 1/20 0.31
POLB P06746 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL27807066 0.89 ALDH1A1 (0.40) MAPTALDH1A1LMNAADRB1HPGD
SCHEMBL28548432 0.87 OPRD1 (0.42) MAPTALDH1A1ADRB1HPGDSIRT6
Hydrochloric Acid SCHEMBL23044940 0.83 KCNJ1 (0.43) MAPTALDH1A1CA12CA1CA2
SCHEMBL28569815 0.81 ALDH1A1 (0.38) MAPTALDH1A1LMNACA12CA1
SCHEMBL15008622 0.80 ADRB1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL20141459 0.80 ADRB1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL21753191 0.77 MAPT (0.40) MAPTALDH1A1LMNACA12CA1
SCHEMBL2113970 0.75 SLC6A2 (0.50) ADRB1SIRT6HTR2C
SCHEMBL27898912 0.74 HTR2C (0.43) ALDH1A1ADRB1SIRT6HTR2C
SCHEMBL5536717 0.73 ALDH1A1 (0.55) MAPTALDH1A1LMNAGPR119ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626927-B Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2024-01-02 CN disclosed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
CN-115697989-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-02-03 CN disclosed
CN-115626927-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-01-20 CN disclosed
EP-3841098-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE Cullgen (Shanghai), Inc. (CN) 2021-06-30 EP disclosed
CN-112888681-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2021-06-01 CN disclosed
WO-2020038415-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2020-02-27 WO disclosed