SCHEMBL25987253

SCHEMBL25987253

CN1/C(=C\C2=C(O)/C(=C\C3=[N+](CCC[N+](C)(C)C)c4ccc(Br)cc4C3(C)C)C2=C(C#N)C#N)C(C)(C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 4/20 0.40
PRMT5 O14744 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 6/20 0.35
HTT P42858 3/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
FOLH1 Q04609 1/20 0.33
LMNA P02545 5/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL25986765 0.93 PRMT1 (0.38) PRMT1PRMT5CARM1PRMT8MEN1
Bromide SCHEMBL25348756 0.92 PRMT1 (0.41) PRMT1PRMT5CARM1PRMT8MEN1
Bromide SCHEMBL25348750 0.92 PRMT1 (0.41) PRMT1PRMT5CARM1PRMT8MEN1
SCHEMBL14199091 0.82 MEN1 (0.41) PRMT1MEN1KMT2AMAPTHTT
Bromide SCHEMBL25349028 0.80 PRMT1 (0.46) PRMT1PRMT5CARM1PRMT8FOLH1
Bromide SCHEMBL25349036 0.80 PRMT1 (0.46) PRMT1PRMT5CARM1PRMT8FOLH1
SCHEMBL14199090 0.79 FOLH1 (0.48) PRMT1MEN1KMT2AMAPTHTT
SCHEMBL14354573 0.78 MEN1 (0.43) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL18070437 0.76 PRMT1 (0.47) PRMT1PRMT5CARM1PRMT8MEN1
SCHEMBL14199092 0.76 MEN1 (0.44) MEN1KMT2AMAPTHTTCRHBP

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-2023154762-A1 SQUARAINE FLUOROPHORES THE GENERAL HOSPITAL CORPORATION (US) 2023-08-17 WO disclosed