SCHEMBL21753810

SCHEMBL21753810

O=C(O)CCc1cc2n(n1)CCN(C(=O)Cc1cccc(Cl)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GRM5 P41594 9/20 0.41

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
SCHEMBL21756473 0.90 ALDH1A1 (0.46) ATMKMT2AALDH1A1KDM4ETSHR
SCHEMBL21752922 0.89 ATM (0.46) ATMKMT2AMEN1RXRARXRB
SCHEMBL21753824 0.89 GRM5 (0.50) GRM5
SCHEMBL21753819 0.88 KMT2A (0.48) KMT2AGRM5
SCHEMBL21753816 0.86 SIGMAR1 (0.53) KMT2AMEN1ALDH1A1GRM5
SCHEMBL16102896 0.86 CA2 (0.44) KMT2AGRM5
SCHEMBL21753823 0.84 MAPT (0.46) ALDH1A1SMN1; SMN2KDM4ETSHRGRM5
SCHEMBL16099772 0.84 GRM5 (0.40) KMT2AMEN1GRM5
SCHEMBL21753820 0.83 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4EGRM5
SCHEMBL16100239 0.83 GFER (0.41) ATMKMT2AMEN1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO claimed
WO-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO disclosed
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