SCHEMBL10985213

SCHEMBL10985213

O=C(O)CCCNC(=O)c1cc(-c2ccccc2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.58
▸ PPARG P37231 3/20 0.53
▸ PPARA Q07869 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CTSA P10619 2/20 0.49
▸ PTGS1 P23219 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ USP30 Q70CQ3 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL15104584 0.83 CTSA (0.51) LMNASMN1; SMN2ALDH1A1CTSAEPHX2
SCHEMBL10992192 0.82 EGLN1 (0.56) SMN1; SMN2ALDH1A1CTSAUSP30HDAC1
SCHEMBL5849288 0.82 SMN1; SMN2 (0.72) LMNASMN1; SMN2ALDH1A1EPHX2HDAC3
SCHEMBL17510966 0.81 HIF1A (0.71) LMNASMN1; SMN2HIF1AHDAC3HDAC1
SCHEMBL19440878 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CTSAUSP30HIF1AHDAC3
SCHEMBL24114406 0.80 KMT2A (0.49) SMN1; SMN2CTSAEPHX2USP30HIF1A
SCHEMBL30765068 0.78 SMN1; SMN2 (0.70) LMNASMN1; SMN2ALDH1A1HIF1AKMT2A
SCHEMBL27176218 0.78 SMN1; SMN2 (0.70) LMNASMN1; SMN2ALDH1A1HIF1AKMT2A
SCHEMBL25262251 0.77 CTSA (0.53) CTSAUSP30HDAC1KMT2A
SCHEMBL13299860 0.77 HDAC3 (0.75) LMNASMN1; SMN2ALDH1A1EPHX2HDAC3

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
US-4555520-A 2-Pyridylcarboxamides which inhibit arachidonic acid release E. R. SQUIBB & SONS, INC. (US) 1985-11-26 — — US claimed
US-4555520-A 2-Pyridylcarboxamides which inhibit arachidonic acid release E. R. SQUIBB & SONS, INC. (US) 1985-11-26 — — US disclosed
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