SCHEMBL28187733

SCHEMBL28187733

CCC(=O)OCC(C)n1ncc([N+](=O)[O-])c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ MITF O75030 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SLC5A1 P13866 1/20 0.32
▸ SLC5A2 P31639 1/20 0.32
▸ TNF P01375 1/20 0.32

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
SCHEMBL20555502 0.79 ALDH1A1 (0.49) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL20555279 0.78 POLB (0.40) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL20555449 0.78 ALDH1A1 (0.35) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL16975398 0.74 ALDH1A1 (0.46) ALDH1A1RECQLPOLBL3MBTL1SMN1; SMN2
SCHEMBL20555350 0.73 POLB (0.42) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL26120909 0.73 POLB (0.41) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL16975409 0.73 POLB (0.46) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL16975579 0.73 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL27439921 0.72 ALDH1A1 (0.40) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL27918131 0.72 L3MBTL1 (0.35) ALDH1A1POLBL3MBTL1SMN1; SMN2KMT2A

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
CN-105940004-B Compound 葛兰素史密斯克莱知识产权发展有限公司 2018-02-02 — — CN disclosed
Send feedback