SCHEMBL28440571

SCHEMBL28440571

CC(C)(O)C(C)(C)O.CN1CCN(Cc2ccc(B(O)O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MC4R P32245 1/20 0.51
CHKA P35790 6/20 0.50
ALDH1A1 P00352 2/20 0.49
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 2/20 0.48
CA2 P00918 1/20 0.48
NCF1 P14598 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
HRH3 Q9Y5N1 3/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2320439 0.92 LMNA (0.61) LMNAMC4RCHKAALDH1A1HDAC6
Hydrochloric Acid SCHEMBL21747953 0.91 LMNA (0.59) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL16121611 0.86 CHKA (0.69) LMNAMC4RCHKAKDM4ECA2
SCHEMBL29113925 0.84 HRH3 (0.54) LMNAALDH1A1MAPTHRH3HPGD
SCHEMBL17165356 0.83 MC4R (0.50) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL14934864 0.82 HRH3 (0.53) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL3584969 0.82 ALDH1A1 (0.47) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL3716741 0.81 LMNA (0.47) LMNAMC4RCHKAALDH1A1HDAC6
SCHEMBL3663957 0.81 LPL (0.43) LMNAMC4RCHKAALDH1A1CA2
SCHEMBL29951850 0.80 LPL (0.50) LMNAMC4RCHKAALDH1A1CA2

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-118126036-A 7-Azaindole compound and preparation method and application thereof 复旦大学 2024-06-04 CN disclosed
CN-117447470-A Pyrrolopyridine derivative as HPK1 inhibitor, preparation method and application thereof 杭州医学院 2024-01-26 CN disclosed
CN-117050072-A Pyrazolopyridine derivative and application thereof 沈阳药科大学 2023-11-14 CN disclosed
CN-106928198-B Sulfonamide derivative and preparation method and application thereof 成都先导药物开发股份有限公司 2020-07-28 CN disclosed