SCHEMBL5892013

SCHEMBL5892013

O=C(NCCN1C=NCC1)NCCN1C=NCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 3/20 0.33
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL11535179 0.86 MTNR1A (0.40) KDM4EALDH1A1TSHRNPSR1LMNA
SCHEMBL5891996 0.86 POLB (0.34) POLB
SCHEMBL11534730 0.83 MTNR1A (0.41) KMT2AMEN1TSHR
SCHEMBL28141626 0.73 KMT2A (0.32) KDM4EKMT2AMEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL11622681 0.72 GLA (0.40) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL16449 0.71
Water SCHEMBL28143655 0.70 GLA (0.35) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL26547315 0.70 CYP1A2 (0.44) KDM4ETSHRSMN1; SMN2LMNA
Water SCHEMBL28143654 0.70 GLA (0.35) KDM4EKMT2AMEN1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL235242 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262500-B1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORP (JP) 2015-12-30 EP disclosed
US-7064172-B2 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORPORATION (JP) 2006-06-20 US disclosed
US-20040147705-A1 Catalyst for production of a polyurethane resin and method for producting a polyurethane resin TOSOH CORPORATION (JP) 2004-07-29 US disclosed
US-6723819-B2 TERTIARY NITROGEN CATALYSTS THAT MAY BE AMINES, IMIDAZOLES, AND/OR UREAS TOSOH CORPORATION (JP) 2004-04-20 US disclosed
US-20030088046-A1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin TOSOH CORPORATION (JP) 2003-05-08 US disclosed
EP-1262500-A1 Catalyst for production of a polyurethane resin and method for producing a polyurethane resin Tosoh Corporation (JP) 2002-12-04 EP disclosed