SCHEMBL25477809

SCHEMBL25477809

O=C(NCCCCCCNC(=O)NCCN1CCCC1)NCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 1/20 0.51
RAD52 P43351 1/20 0.49
NPC1 O15118 1/20 0.49
HTR3A P46098 2/20 0.48
EPHX1 P07099 2/20 0.47

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
SCHEMBL25477811 0.98 KDM4E (0.59) KDM4ECA12CA1CA2CA9
SCHEMBL25477820 0.92 RAD52 (0.53) KDM4ERAD52HTR3AEPHX1
SCHEMBL25480226 0.91 KDM4E (0.54) KDM4ECA12CA1CA2CA9
SCHEMBL25477818 0.90 RAD52 (0.55) KDM4ECA12CA1CA2CA9
SCHEMBL25480252 0.90 KDM4E (0.52) KDM4ECA12CA1CA2CA9
SCHEMBL3893911 0.90 CA12 (0.63) KDM4ECA12CA1CA2CA9
SCHEMBL17525452 0.88 KDM4E (0.54) KDM4ECA12CA1CA2CA9
SCHEMBL3896010 0.86 EPHX1 (0.54) KDM4ECA12CA1CA2CA9
SCHEMBL1514666 0.83 GAA (0.57) KDM4ECA12CA1CA2CA9
SCHEMBL30958387 0.83 EPHX1 (0.68) KDM4EALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US disclosed
US-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US disclosed