SCHEMBL30161886

SCHEMBL30161886

COC(=O)CCn1cncn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.62
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TNKS2 Q9H2K2 1/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5929803 0.83 EGLN3 (0.59) EGLN3ALDH1A1MAPTSMN1; SMN2TNKS2
SCHEMBL21233106 0.81 CYP1A2 (0.48) EGLN3MAPTMEN1KMT2ACYP1A2
SCHEMBL4291632 0.79 EGLN3 (0.69) EGLN3ALDH1A1MAPTSMN1; SMN2TNKS2
SCHEMBL28263721 0.79 EGLN3 (0.74) EGLN3ALDH1A1MAPTSMN1; SMN2TNKS2
SCHEMBL18072254 0.79 EGLN3 (0.62) EGLN3ALDH1A1TNKS2MEN1KMT2A
SCHEMBL7681770 0.78 EGLN3 (0.53) EGLN3ALDH1A1MAPTSMN1; SMN2TNKS2
SCHEMBL7197057 0.77 EGLN3 (1.00) EGLN3ALDH1A1TNKS2MEN1KMT2A
SCHEMBL10514858 0.76 EGLN3 (0.65) EGLN3ALDH1A1MAPTSMN1; SMN2TNKS2
SCHEMBL1178524 0.76 EGLN3 (0.69) EGLN3ALDH1A1MAPTSMN1; SMN2TNKS2
Hydrochloric Acid SCHEMBL10637029 0.76 EGLN3 (0.96) EGLN3ALDH1A1TNKS2

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-115955916-A Active compound combinations 拜耳公司 2023-04-11 CN disclosed
CN-115697059-A Active compound combinations 拜耳公司 2023-02-03 CN disclosed