SCHEMBL28772091

SCHEMBL28772091

Fc1c(F)c(F)c(-c2onc3ccccc23)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 1/20 0.38
IP6K1 Q92551 7/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
KDM4E B2RXH2 5/20 0.35
IP6K3 Q96PC2 5/20 0.35
IP6K2 Q9UHH9 5/20 0.35
NPC1 O15118 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 3/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR3 P46089 1/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 2/20 0.33

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
SCHEMBL31001160 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDIP6K1MEN1
SCHEMBL28601248 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDIP6K1MEN1
SCHEMBL8655645 0.76 MEN1 (0.56) ALDH1A1SMN1; SMN2HPGDIP6K1MEN1
SCHEMBL6691319 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDIP6K1MEN1
SCHEMBL2492556 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDIP6K1MEN1
SCHEMBL23458464 0.69 IP6K1 (0.51) ALDH1A1SMN1; SMN2HPGDIP6K1MEN1
SCHEMBL28617511 0.68 GPR3 (0.40) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL1837436 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDIP6K1MEN1
SCHEMBL29144786 0.68 KDM4E (0.46) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL10397089 0.68 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDIP6K1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114653404-B Ruthenium compound catalyst and application thereof in olefin metathesis 安徽泽升科技有限公司 2022-10-11 CN claimed
CN-114653404-B Ruthenium compound catalyst and application thereof in olefin metathesis 安徽泽升科技有限公司 2022-10-11 CN disclosed
CN-114653404-A Ruthenium compound catalyst and application thereof in olefin metathesis 安徽泽升科技有限公司 2022-06-24 CN disclosed