SCHEMBL21381493

SCHEMBL21381493

[c]1cc(-c2ccccc2)n(Cc2ccc3c(c2)OCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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 0.88 KDM4E (0.50) SMN1; SMN2KMT2AGAACMA1ALDH1A1
SCHEMBL20379142 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TSHRPKMKMT2AGAA
SCHEMBL21382022 0.88 CMA1 (0.44) SMN1; SMN2TSHRPKMKMT2ACMA1
SCHEMBL20379138 0.88 MAPT (0.49) SMN1; SMN2TSHRPKMGAACMA1
SCHEMBL21381467 0.84 SMN1; SMN2 (0.46) SMN1; SMN2TSHRPKMKMT2ACMA1
SCHEMBL20379164 0.84 TRPV6 (0.47) SMN1; SMN2TSHRPKMKMT2ACMA1
SCHEMBL28331427 0.80 ALDH1A1 (0.51) SMN1; SMN2TSHRPKMKMT2AGAA
SCHEMBL21373634 0.79 CMA1 (0.50) SMN1; SMN2TSHRPKMKMT2ACMA1
SCHEMBL21381476 0.76 SMN1; SMN2 (0.53) SMN1; SMN2TSHRPKMKMT2AGAA
SCHEMBL21373590 0.75 CMA1 (0.47) SMN1; SMN2TSHRPKMKMT2ACMA1

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 4 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
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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