SCHEMBL28348392

SCHEMBL28348392

CN1CCN(C(=O)c2cc3c(s2)SC(C)(C)CC3=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.48
STAT3 P40763 1/20 0.43
HPGD P15428 4/20 0.42
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDR P35968 1/20 0.38
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.35
POLB P06746 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
SCHEMBL28397526 0.84 ALDH1A1 (0.49) HPGDKMT2ARXFP1ALDH1A1LMNA
SCHEMBL28400024 0.83 LMNA (0.43) KDM4EKMT2AALDH1A1L3MBTL1LMNA
SCHEMBL28391828 0.82 KMT2A (0.50) HPGDKDM4EKMT2ARXFP1ALDH1A1
SCHEMBL28401171 0.82 LMNA (0.45) HPGDKDM4ENPC1RAB9AKMT2A
SCHEMBL28348407 0.81 MAOB (0.47) HPGDKDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL28346207 0.81 ALDH1A1 (0.52) KDM4ENPC1KMT2AALDH1A1L3MBTL1
SCHEMBL28396618 0.81 SMN1; SMN2 (0.51) KDM4EKMT2ARXFP1ALDH1A1HSD17B10
SCHEMBL28394817 0.81 TP53 (0.40) KMT2AALDH1A1HSD17B10L3MBTL1LMNA
SCHEMBL28348917 0.78 ALDH1A1 (0.36) HPGDKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL28348405 0.77 HRH4 (0.47) HRH4STAT3HPGDKDM4ENPC1

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-108822125-B 1- (thieno [2,3-b ] thiopyranoformyl) -4-aliphatic alkyl piperazine compound and medical application thereof 沈阳药科大学 2020-01-31 CN claimed
CN-108822125-B 1- (thieno [2,3-b ] thiopyranoformyl) -4-aliphatic alkyl piperazine compound and medical application thereof 沈阳药科大学 2020-01-31 CN disclosed