SCHEMBL21381467

SCHEMBL21381467

FC(F)(F)c1ccc(-c2c[c]cn2Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ FAAH O00519 1/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MAP2K4 P45985 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TACR1 P25103 1/20 0.38

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
SCHEMBL21381489 0.87 KDM4E (0.50) SMN1; SMN2LMNAFAAHCMA1ALDH1A1
SCHEMBL20379138 0.85 MAPT (0.49) SMN1; SMN2LMNACMA1TP53ALDH1A1
SCHEMBL21382022 0.85 CMA1 (0.44) SMN1; SMN2FAAHCMA1ALDH1A1PKM
SCHEMBL20379142 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNACMA1TP53ALDH1A1
SCHEMBL21381493 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNACMA1ALDH1A1HTT
SCHEMBL20379164 0.82 TRPV6 (0.47) SMN1; SMN2LMNACMA1ALDH1A1PKM
SCHEMBL28331553 0.81 SMN1; SMN2 (0.52) SMN1; SMN2LMNAFAAHCMA1SCN9A
SCHEMBL21373574 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAFAAHCMA1TP53
SCHEMBL21373517 0.78 MAP2K4 (0.40) SMN1; SMN2LMNAFAAHCMA1MAP2K4
SCHEMBL28331433 0.76 SMN1; SMN2 (0.49) SMN1; SMN2LMNAFAAHCMA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768673-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2021-01-27 — — EP claimed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 — — WO claimed
CN-116462666-A Cytoprotective compounds and uses thereof 瑞士苏黎世联邦理工学院 2023-07-21 — — CN disclosed
EP-3768673-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2021-01-27 — — EP disclosed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 — — WO disclosed
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