SCHEMBL9921391

SCHEMBL9921391

Cn1ncc(C(=O)NNC(N)=O)c1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK2 O43353 1/20 0.35
PROKR1 Q8TCW9 1/20 0.34
ACACB O00763 1/20 0.34
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2061609 0.82 MAPK14 (0.44) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11965637 0.80 MAPK1 (0.40) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL174225 0.80 RIPK2 (0.51) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3902859 0.79 ALOX5 (0.45) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31473300 0.76 GAA (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPK14
SCHEMBL535661 0.76 KDM4E (0.44) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3436120 0.75 CYP1A2 (0.51) NPC1RAB9AALDH1A1KDM4ECYP1A2
SCHEMBL939409 0.74 NPC1 (0.52) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31473324 0.74 GAA (0.50) POLBNPC1RAB9AALDH1A1MAPK14
SCHEMBL31473317 0.74 CYP1A2 (0.46) POLBNPC1RAB9AALDH1A1SMN1; 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 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