SCHEMBL27312472

SCHEMBL27312472

CN1c2ccccc2OCC1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ OPRD1 P41143 2/20 0.37

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
SCHEMBL15304590 0.83 MEN1 (0.40) SMN1; SMN2MEN1KMT2ANPSR1LMNA
SCHEMBL27499691 0.81 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ANPSR1LMNA
SCHEMBL27879785 0.78 TP53 (0.41) TP53
SCHEMBL28409641 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL27841572 0.78 CHRNB4 (0.39) ALDH1A1TP53HPGDCHRNB4CHRNA3
SCHEMBL27517106 0.78 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ANPSR1LMNA
SCHEMBL27520107 0.78 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ANPSR1LMNA
Hydrochloric Acid SCHEMBL29080929 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL680143 0.75 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL15222055 0.75 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744476-B IMIDAZOPYRAZINE Syk INHIBITORS 吉利德康涅狄格公司 2017-04-12 — — CN disclosed
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
CN-1032479-A Replace azoles and its method for making of piperazine compounds and weeding purpose SCHERING AG (DE) 1989-04-26 — — CN disclosed
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