SCHEMBL9921275

SCHEMBL9921275

N=C(Cn1cncn1)NNC(=O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4100563 0.73
SCHEMBL1178749 0.73
SCHEMBL2825103 0.70 CYP1A2 (0.53) SMN1; SMN2EGLN3MAPTHTTCYP1A2
Bromide SCHEMBL6984871 0.69 EGLN3 (0.62) SMN1; SMN2EGLN3MAPTCYP1A2CYP3A4
SCHEMBL5899076 0.68 EGLN3 (0.55) EGLN3MAPTHTTCYP1A2CYP3A4
SCHEMBL5746694 0.65
SCHEMBL22234928 0.65
Hydrochloric Acid SCHEMBL1375589 0.65 EGLN3 (0.62) EGLN3MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2260290 0.65
SCHEMBL21233106 0.65 CYP1A2 (0.48) EGLN3MAPTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169339-B2 Curable composition, molded product and method for producing molded product DAIKIN INDUSTRIES, LTD. (JP) 2015-10-27 US disclosed
US-9169339-B2 Curable composition, molded product and method for producing molded product DAIKIN INDUSTRIES, LTD. (JP) 2015-10-27 US disclosed
US-20130190456-A1 CURABLE COMPOSITION, MOLDED ARTICLE AND METHOD FOR PRODUCING MOLDED ARTICLE DAIKIN INDUSTRIES, LTD. (JP) 2013-07-25 US disclosed
US-20130190456-A1 CURABLE COMPOSITION, MOLDED ARTICLE AND METHOD FOR PRODUCING MOLDED ARTICLE DAIKIN INDUSTRIES, LTD. (JP) 2013-07-25 US disclosed
WO-2012077583-A1 CURABLE COMPOSITION, MOLDED PRODUCT AND METHOD FOR PRODUCING MOLDED PRODUCT DAIKIN INDUSTRIES, LTD. (JP) 2012-06-14 WO disclosed