SCHEMBL2232317

SCHEMBL2232317

O=C(c1ccc2cccnc2c1O)N1CCOCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ EGLN1 Q9GZT9 8/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ PPP1CA P62136 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ NR4A1 P22736 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HTR6 P50406 1/20 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
SCHEMBL2143714 0.85 POLB (0.56) ALDH1A1EGLN1ALOX15LMNAL3MBTL1
SCHEMBL2143791 0.84 POLB (0.53) ALDH1A1LMNAHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL2143854 0.83 ALDH1A1 (0.49) ALDH1A1EGLN1L3MBTL1POLBGPBAR1
SCHEMBL2143749 0.78 ALDH1A1 (0.57) ALDH1A1EGLN1ALOX15LMNATP53
SCHEMBL2143986 0.77 ALDH1A1 (0.47) ALDH1A1EGLN1PRMT5WDR77SMN1; SMN2
SCHEMBL2143814 0.74 SLC22A12 (0.52) ALDH1A1EGLN1L3MBTL1PRMT5WDR77
SCHEMBL2143801 0.74 ALDH1A1 (0.47) ALDH1A1EGLN1PRMT5WDR77GPBAR1
SCHEMBL2143724 0.74 ALDH1A1 (0.58) ALDH1A1EGLN1HSD17B10PRMT5WDR77
SCHEMBL2143848 0.73 PDK1 (0.53) ALDH1A1EGLN1GPBAR1
SCHEMBL2143822 0.73 PDK1 (0.59) ALDH1A1LMNASMN1; SMN2

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
EP-2519505-A1 NEW TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF Polichem SA (LU) 2012-11-07 — — EP disclosed
WO-2011080264-A1 NEW TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM S.A. (LU) 2011-07-07 — — WO disclosed
Send feedback