SCHEMBL9575417

SCHEMBL9575417

C=CC(=O)NCC(C)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FLT3 P36888 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20609960 0.85 TSHR (0.42) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL10714697 0.85 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL10716467 0.82 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL10716365 0.80 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL10714094 0.77 ZDHHC20 (0.41) KMT2AMEN1ALDH1A1MAPK1TSHR
SCHEMBL1070614 0.76 TSHR (0.47) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL10713665 0.76 ZDHHC20 (0.46) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL18124152 0.73 KMT2A (0.48) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL2486525 0.73 USP2 (0.44) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL7751011 0.72 TSHR (0.51) KMT2AMEN1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425590-B1 PROCESS FOR STABILISING THE pH OF AQUEOUS FEED SOLUTIONS AND FOR ABSORBING AND BUFFERING URINE AND WOUND SECRETIONS MARIGEN SA (CH) 1993-12-15 EP claimed
US-20200171214-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2020-06-04 US disclosed
US-4686166-A HIGH IMAGE DENSITY, ANTIFOGGING AGENT HITACHI CHEMICAL CO. (JP) 1987-08-11 US disclosed