SCHEMBL21753812

SCHEMBL21753812

O=C(O)CCc1cc2n(n1)CCN(C(=O)Cc1ccc(Br)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ GPR183 P32249 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRM5 P41594 7/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 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
SCHEMBL21756473 0.90 ALDH1A1 (0.46) ALDH1A1NPC1KDM4EGAAKMT2A
SCHEMBL21753815 0.89 GRM5 (0.49) MAPTMEN1KMT2AGRM5
SCHEMBL21753809 0.89 SMN1; SMN2 (0.45) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL21752922 0.89 ATM (0.46) GPR183MEN1KMT2AGRM5FNTA
SCHEMBL21753823 0.88 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EGRM5
SCHEMBL21753822 0.86 SMN1; SMN2 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21753808 0.86 GRM5 (0.47) GRM5
SCHEMBL16099458 0.86 PANK3 (0.44) ALDH1A1SMN1; SMN2HTTGRM5
SCHEMBL21753827 0.86 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNAKDM4EGPR183
SCHEMBL21753819 0.85 KMT2A (0.48) NPC1GPR183KMT2AGRM5

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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