SCHEMBL7590790

SCHEMBL7590790

CC(=O)Oc1ccc2ncc(C)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
GLA P06280 2/20 0.68
F2 P00734 1/20 0.68
HPGD P15428 1/20 0.68
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
LMNA P02545 4/20 0.49
CYP1A2 P05177 1/20 0.46
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
FLT3 P36888 1/20 0.43
ACHE P22303 1/20 0.43
KMT2A Q03164 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL27616493 0.84 KMT2A (0.50) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL28814899 0.83 ALDH1A1 (0.67) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL3150403 0.83 ALDH1A1 (0.67) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL23247805 0.81 ALDH1A1 (0.63) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL7594210 0.80 ALDH1A1 (0.62) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL434861 0.78 PDGFRB (0.59) ALDH1A1GLAF2HPGDLMNA
SCHEMBL535665 0.78 EGFR (0.64) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL265624 0.78 LMNA (0.67) GLALMNACYP1A2CA2CA12
SCHEMBL22102532 0.77 ALDH1A1 (0.59) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL21988640 0.77 ALDH1A1 (0.71) ALDH1A1GLAF2HPGDPDE3B

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
EP-0747362-B1 Substituted quinoline herbicide intermediates and process BASF AG (DE) 2002-10-30 EP claimed