SCHEMBL467680

SCHEMBL467680

CN1CCN(C2CCN(C3=CC[CH]C=C3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 1/20 0.36
VCP P55072 1/20 0.36
PIM1 P11309 1/20 0.35
ACVR1 Q04771 8/20 0.33
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ACHE P22303 1/20 0.32
FGFR3 P22607 1/20 0.31
MELK Q14680 1/20 0.31

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
SCHEMBL467489 0.84 PIM1 (0.36) KCNH2ALDH1A1VCPPIM1ACVR1
SCHEMBL1903288 0.79 TSHR (0.35) ALDH1A1
SCHEMBL1901744 0.72
SCHEMBL2485210 0.71 KMT2A (0.33)
SCHEMBL468653 0.69 L3MBTL3 (0.46) KCNH2ALDH1A1L3MBTL3L3MBTL1
SCHEMBL2480167 0.69 HRH3 (0.36) ALDH1A1L3MBTL3L3MBTL1
SCHEMBL467582 0.68 KDM4E (0.38) ALDH1A1
SCHEMBL1385856 0.66 ADRA2C (0.33) ALDH1A1
SCHEMBL3436969 0.66 L3MBTL1 (0.46) ALDH1A1VCPPIM1ACVR1L3MBTL3
SCHEMBL25511926 0.65 PIM1 (0.40) KCNH2ALDH1A1VCPPIM1ACVR1

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-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed