SCHEMBL10692023

SCHEMBL10692023

CC(C)C(C)(C#N)NC(=O)Oc1nc2ccccc2cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
SCN9A Q15858 1/20 0.35
GAA P10253 3/20 0.35
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9602219 0.81 ALDH1A1 (0.39) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL10692017 0.77 SMN1; SMN2 (0.37) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL10683157 0.72 SMN1; SMN2 (0.42) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL5789435 0.72 KDM4E (0.47) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL9602976 0.70 KMT2A (0.45) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL3715949 0.69 KDM4E (0.56) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL31423348 0.69 KDM4E (0.56) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL14300893 0.69 SMN1; SMN2 (0.39) SMN1; SMN2TSHRKDM4EALDH1A1HPGD
SCHEMBL14932551 0.67 BCHE (0.45) KDM4EALDH1A1KMT2AGAAPPARD
SCHEMBL4228872 0.66 KDM4E (0.61) SMN1; SMN2TSHRKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4782157-A FROM CORRESPONDING ANHYDRIDES AMERICAN CYANAMID CO. (US) 1988-11-01 US disclosed