SCHEMBL5226403

SCHEMBL5226403

CCCCCCCCNCc1ccc(Br)cc1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 3/20 0.56
CYP2C19 P33261 3/20 0.56
CHRM2 P08172 2/20 0.50
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SLC2A1 P11166 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16017279 0.86 ALDH1A1 (0.50) LMNACYP1A2CYP2D6CYP2C19CHRM2
SCHEMBL8349305 0.78 CHRM2 (0.49) LMNACYP1A2CYP2D6CYP2C19CHRM2
Hydrochloric Acid SCHEMBL11620409 0.78 LMNA (0.50) LMNACYP1A2CYP2D6CYP2C19CHRM2
SCHEMBL7605778 0.77 CHRM2 (0.83) CYP2D6CHRM2
Hydrochloric Acid SCHEMBL5713119 0.76 CHRM2 (0.80) LMNACHRM2SMN1; SMN2MEN1KMT2A
SCHEMBL7543557 0.76 CHRM2 (0.50) LMNACYP1A2CYP2D6CYP2C19CHRM2
Hydrochloric Acid SCHEMBL3665646 0.76 CHRM2 (0.80) LMNACHRM2SMN1; SMN2MEN1KMT2A
SCHEMBL7101030 0.76 CHRM2 (0.50) LMNACYP1A2CYP2D6CYP2C19CHRM2
SCHEMBL15005744 0.76 CHRM2 (0.50) LMNACYP1A2CYP2D6CYP2C19CHRM2
Hydrochloric Acid SCHEMBL5713128 0.76 CHRM2 (0.80) LMNACHRM2SMN1; SMN2MEN1KMT2A

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
EP-1394158-B1 Thiophene derivatives and optical elements using the same FUJIFILM CORP (JP) 2007-03-21 EP disclosed
EP-1394158-A1 Novel compounds and optical elements using the same FUJI PHOTO FILM CO., LTD. (JP) 2004-03-03 EP disclosed