SCHEMBL27520107

SCHEMBL27520107

C=CN1c2ccccc2OCC1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ HTT P42858 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35

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
SCHEMBL27312472 0.78 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL27517106 0.75 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL27499691 0.75 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL27301133 0.72 SMN1; SMN2 (0.36) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL29066267 0.71 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL27528752 0.70 ALDH1A1 (0.35) SMN1; SMN2NPSR1LMNANPC1RAB9A
SCHEMBL27588740 0.68 ABCG2 (0.44) SMN1; SMN2LMNAHPGDALDH1A1HTT
SCHEMBL28409641 0.67 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL29080929 0.66 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL13091471 0.66 SIGMAR1 (0.38) HPGDTP53ALDH1A1

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
CN-1215595-C Nonaqueous electrolyte and secondary battery using the same MITSUBISHI CHEM CORP (JP) 2005-08-17 — — CN disclosed
CN-1465117-A Nonaqueous electrolyte and secondary battery using the same MITSUBISHI CHEM CORP (JP) 2003-12-31 — — CN disclosed
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