SCHEMBL28819557

SCHEMBL28819557

CCc1ccccc1-c1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.46
THRB P10828 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL28819671 0.87 KDM4E (0.44) PTAFRMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL28819516 0.87 PTAFR (0.47) PTAFRMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL28819553 0.87 PTAFR (0.45) PTAFRMAPTTP53TSHRLMNA
SCHEMBL28819533 0.86 PTAFR (0.44) PTAFRMAPTPOLBTSHR
SCHEMBL27747026 0.86 MEN1 (0.45) PTAFRMAPTPOLBTSHR
Hydrochloric Acid SCHEMBL27747036 0.85 MEN1 (0.44) PTAFRMAPTPOLBTSHR
SCHEMBL28077564 0.85 MEN1 (0.43) PTAFRMAPTTSHRLMNA
SCHEMBL28819640 0.84 NPSR1 (0.54) PTAFRMAPTTSHRLMNA
SCHEMBL3561095 0.84 TSHR (0.43) PTAFRMAPTPOLBTSHR
SCHEMBL28819621 0.84 PTAFR (0.49) PTAFRMAPTALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed