SCHEMBL28043336

SCHEMBL28043336

C#CC1CCCCN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
HSD11B1 P28845 2/20 0.32
LMNA P02545 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 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
SCHEMBL3757533 0.94 HPGD (0.36) HPGDALDH1A1TSHRLMNA
SCHEMBL23388242 0.86 LMNA (0.31) HPGDALDH1A1TSHRLMNA
SCHEMBL1898846 0.86 LMNA (0.31) HPGDALDH1A1TSHRLMNA
SCHEMBL1163329 0.78 LMNA (0.32) HPGDALDH1A1TSHRLMNACHRNB2
SCHEMBL3762272 0.78 ALDH1A1 (0.40) HPGDALDH1A1LMNACHRNB2CHRNA3
SCHEMBL1900474 0.78
SCHEMBL16041071 0.76 HPGD (0.55) HPGDALDH1A1SMN1; SMN2
SCHEMBL28168621 0.76 VNN1 (0.40) ALDH1A1LMNA
SCHEMBL15614355 0.75 HPGD (0.32) HPGDALDH1A1
SCHEMBL7357706 0.75 ALDH1A1 (0.48) HPGDALDH1A1TSHRHTTSMN1; SMN2

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-105324380-A Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-02-10 CN disclosed
CN-105246890-A Pyrrolo[2, 3-b]pyridine cdk9 kinase inhibitors ABBVIE INC 2016-01-13 CN disclosed