SCHEMBL6672912

SCHEMBL6672912

[CH2]CC(N)(c1ccccc1)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
KCNN4 O15554 1/20 0.41
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
PLOD2 O00469 1/20 0.34
PLOD3 O60568 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLOD1 Q02809 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP11B1 P15538 2/20 0.34

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
SCHEMBL27525548 0.87 KCNN4 (0.52) KIF11KCNN4ALDH1A1TSHRSLC6A2
SCHEMBL8321366 0.79 ALDH1A1 (0.58) KIF11KCNN4ALDH1A1TSHRSLC6A2
SCHEMBL5999709 0.79 KIF11 (0.49) KIF11KCNN4NOTUMALDH1A1TSHR
SCHEMBL8322782 0.79 ALDH1A1 (0.58) KIF11KCNN4ALDH1A1TSHRSLC6A2
SCHEMBL9203753 0.78 KCNN4 (0.70) KIF11KCNN4NOTUMALDH1A1TSHR
SCHEMBL8326422 0.75 KCNN4 (0.48) KIF11KCNN4ALDH1A1TSHR
SCHEMBL8322052 0.75 KIF11 (0.50) KIF11KCNN4TSHRTAAR1
SCHEMBL8327109 0.75 KCNN4 (0.48) KIF11KCNN4ALDH1A1TSHR
SCHEMBL9052398 0.75 NOTUM (0.48) KIF11KCNN4NOTUMALDH1A1TSHR
SCHEMBL6000332 0.74 KIF11 (0.47) KIF11KCNN4NOTUMALDH1A1TSHR

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-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed