SCHEMBL22487487

SCHEMBL22487487

Cc1ncsc1-c1ccc(CCN)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.55
TAAR1 Q96RJ0 6/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
AKT2 P31751 1/20 0.43
MAOB P27338 5/20 0.42
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR3A P46098 1/20 0.37
BACE1 P56817 1/20 0.37
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL20213945 0.98 VHL (0.54) VHLTAAR1CYP1A2CYP2A6AKT2
SCHEMBL15110380 0.86 VHL (0.57) VHLTAAR1CYP1A2CYP2A6AKT2
SCHEMBL25006603 0.85 VHL (0.56) VHLCYP1A2KDM4EALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL21070735 0.85 VHL (0.56) VHLTAAR1CYP1A2CYP2A6AKT2
Hydrochloric Acid SCHEMBL26909801 0.85 VHL (0.56) VHLTAAR1CYP1A2CYP2A6AKT2
SCHEMBL19598702 0.83 VHL (0.58) VHLCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL16276343 0.81 VHL (0.59) VHLCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL22481765 0.81 HRH3 (0.55) VHLTAAR1HTR1A
SCHEMBL25592938 0.81 VHL (0.56) VHLCYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL22130274 0.80 VHL (0.50) VHLCYP1A2KDM4EALDH1A1CYP2C19

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-118994300-A Protein degradation targeting chimeric and application thereof 沈阳药科大学 2024-11-22 CN disclosed
WO-2020198055-A1 ALLOSTERIC BCR-ABL PROTEOLYSIS TARGETING CHIMERIC COMPOUNDS YALE UNIVERSITY (US) 2020-10-01 WO disclosed