SCHEMBL10907495

SCHEMBL10907495

CN(C)N(CCC(N)=O)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ LTA4H P09960 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ MEN1 O00255 2/20 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
SCHEMBL10903602 0.80 HDAC3 (0.47) KMT2AADRA2CALDH1A1HPGDHSD11B1
SCHEMBL10906612 0.79 HDAC6 (0.50) KMT2AL3MBTL1MAPTTDP1HDAC1
SCHEMBL10906149 0.76 NPSR1 (0.39) KMT2ALTA4HALDH1A1POLBCYP3A4
SCHEMBL10906184 0.75 MLYCD (0.48) KMT2AALDH1A1HPGDL3MBTL1POLB
SCHEMBL1232674 0.75 HDAC6 (0.55) HDAC1HDAC6
SCHEMBL28827956 0.75 ADRA2C (0.66) KMT2AADRA2CALDH1A1HPGDPOLB
SCHEMBL10905444 0.74 KMT2A (0.46) KMT2AALDH1A1L3MBTL1MAPTTSHR
Hydrochloric Acid SCHEMBL11480006 0.74 FFAR1 (0.51) —
SCHEMBL2447478 0.73 HDAC6 (0.62) HDAC1HDAC6
SCHEMBL28215034 0.73 HDAC6 (0.62) HDAC1HDAC6

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
Send feedback