SCHEMBL11277299

SCHEMBL11277299

CCCCNC(=O)c1cc(=O)c(Oc2ccccc2)co1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
HDAC3 O15379 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAAA Q02083 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL161795 0.71 SMN1; SMN2 (0.49) KDM4EHTTTSHRKMT2AMEN1
SCHEMBL5274120 0.69 LMNA (0.67) KDM4EHTTKMT2AMEN1SMN1; SMN2
SCHEMBL27571120 0.68 NAAA (0.72) HDAC3KMT2AMEN1SMN1; SMN2NAAA
SCHEMBL5277697 0.67 ABCG2 (0.62) HTTMAPT
SCHEMBL3092684 0.67 ALDH1A1 (0.81) HTTTSHRHDAC3KMT2AMEN1
SCHEMBL7345817 0.67 KDM4E (0.53) KDM4EHTTTSHRNAAAALDH1A1
SCHEMBL9257833 0.66 MGLL (0.63) HTTHDAC3KMT2AALDH1A1GAA
SCHEMBL6900481 0.66 MEN1 (0.42) TSHRKMT2AMEN1POLB
SCHEMBL11271239 0.66 GPR35 (0.47) KDM4EHTTKMT2AMEN1SMN1; SMN2
SCHEMBL1002854 0.66 NAAA (0.86) HTTTSHRHDAC3SMN1; SMN2NAAA

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-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed