SCHEMBL28895403

SCHEMBL28895403

CC(=O)ON(C(=N)S)c1ccc(C)cc1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
AKR1C3 P42330 1/20 0.30

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
SCHEMBL28429558 0.85 NPSR1 (0.35) ALDH1A1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL28430203 0.83 ALDH1A1 (0.36) LMNAALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL2529608 0.80 LMNA (0.45) LMNAALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL28423722 0.80 ESR1 (0.40) ALDH1A1RAB9AKDM4EPOLB
SCHEMBL27451727 0.66 PREP (0.38) LMNAALDH1A1SMN1; SMN2TSHRHSD17B1
SCHEMBL28554166 0.66 MMP2 (0.41) LMNAALDH1A1KDM4EHTT
SCHEMBL28516841 0.64 ACHE (0.52) LMNAALDH1A1RAB9A
SCHEMBL5933685 0.64 ALDH1A1 (0.44) LMNAALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL3279596 0.63 NPSR1 (0.41) ALDH1A1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL23091323 0.63 TSHR (0.44) ALDH1A1RAB9ASMN1; SMN2TSHRKDM4E

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-109622238-B Medicament combination for flotation and recovery of rutile from rutile gravity separation middling 商洛学院 2020-07-17 CN disclosed