SCHEMBL15032038

SCHEMBL15032038

NCNC(=O)CCN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL15032039 0.85 HSD17B10 (0.46) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL16574879 0.78 ITGB3 (0.44) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL23936816 0.78 CHRM5 (0.43) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL11033869 0.78 CHRM5 (0.47) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL1768403 0.78 ANPEP (0.43) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL13583281 0.78 ANPEP (0.43) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL13584988 0.77 HSD17B10 (0.42) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL1768823 0.77 HSD17B10 (0.42) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL1900720 0.75 L3MBTL1 (0.63) MAPTHSD17B10KMT2AMEN1SIGMAR1
SCHEMBL2235636 0.75 OTC (0.49) MAPTHSD17B10KMT2AMEN1SIGMAR1

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
US-9283299-B2 Injectable hydrogels WILLIAM MARSH RICE UNIVERSITY (US) 2016-03-15 US disclosed
US-20150079020-A1 INJECTABLE HYDROGELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
US-20150079020-A1 INJECTABLE HYDROGELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
WO-2013086523-A2 INJECTABLE HYDROGELS WILLIAM MARSH RICE UNIVERSITY (US) 2013-06-13 WO disclosed