SCHEMBL28401581

SCHEMBL28401581

CCN(CC)C(=O)c1cc2c(s1)SCCC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 4/20 0.40
GLA P06280 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 4/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL28398287 0.78 CA2 (0.43) CA2ALDH1A1HPGDKDM4EMAPT
SCHEMBL28345475 0.77 CA2 (0.51) CA2ALDH1A1HPGDKDM4EGLA
SCHEMBL28399264 0.74 RAB9A (0.47) CA2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL28345538 0.72 CA2 (0.47) CA2ALDH1A1KDM4EHTTVHL
SCHEMBL28406838 0.72 ALDH1A1 (0.49) CA2ALDH1A1HPGDKDM4EGAA
SCHEMBL28399260 0.71 ALDH1A1 (0.46) CA2ALDH1A1HPGDKDM4EGAA
SCHEMBL28401589 0.70 KMT2A (0.49) CA2ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL28348405 0.70 HRH4 (0.47) CA2ALDH1A1HPGDKDM4ERAB9A
SCHEMBL28402762 0.69 MAPT (0.52) CA2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL28400986 0.68 HPGD (0.50) CA2ALDH1A1HPGDKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586484-B Thienopyran carboxamides and their use 沈阳药科大学 2020-05-15 CN claimed
CN-108586484-B Thienopyran carboxamides and their use 沈阳药科大学 2020-05-15 CN disclosed