SCHEMBL25009530

SCHEMBL25009530

CCCCN1CCN=C1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 3/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
TOP2A P11388 1/20 0.31
TOP2B Q02880 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
SCHEMBL11140291 0.92 MEN1 (0.41) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL17424836 0.88 TSHR (0.43) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL14255598 0.87
SCHEMBL18198890 0.84 KDM4E (0.45) KDM4EALDH1A1CYP1A2CYP2D6TOP2A
SCHEMBL11839292 0.82 KDM4E (0.39) KDM4EALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL11121197 0.81 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL23735548 0.80 KDM4E (0.42) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL515382 0.78
SCHEMBL23902086 0.78 MEN1 (0.39) KMT2AMEN1TSHRHTTCYP1A2
SCHEMBL10076591 0.78 MEN1 (0.39) KMT2AMEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023010200-A1 THERAPEUTIC COORDINATION POLYMERS CONTAINING PHARMACEUTICALS FOR DRUG RELEASE APPLICATIONS UNIVERSITY OF WINDSOR (CA) 2023-02-09 WO disclosed