SCHEMBL21250754

SCHEMBL21250754

C1=C\CN(c2cccc3ccccc23)CN(c2cccc3ccccc23)C\C=C/1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
HTR1A P08908 3/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 2/20 0.53
HTR3A P46098 2/20 0.53
TSHR P16473 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
NCF1 P14598 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
MTOR P42345 1/20 0.53
HTR5A P47898 1/20 0.53
HTR6 P50406 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL6336652 0.82 HTR1A (0.58) HSD17B10HTR1AHTR2AHTR7HTR3A
SCHEMBL3319952 0.78 HSD17B10 (0.42) HSD17B10HTR1AHTR2AHTR7HTR3A
SCHEMBL9643856 0.77 HTR1A (0.74) HSD17B10HTR1AHTR2AHTR7HTR3A
Hydrochloric Acid SCHEMBL7203515 0.75 KDM4E (0.75) HSD17B10HTR1AHTR2AHTR7HTR3A
Bromide SCHEMBL9444674 0.74 HTR1A (0.54) HSD17B10HTR1AHTR2AHTR7HTR3A
SCHEMBL569714 0.74 HTR1A (0.69) HSD17B10HTR1AHTR2AHTR7HTR3A
SCHEMBL1876619 0.74 NCF1 (0.69) HSD17B10HTR1AHTR2AHTR7HTR3A
SCHEMBL7491687 0.72 NCF1 (0.67) HSD17B10HTR1AHTR2AHTR7HTR3A
SCHEMBL3080094 0.72 NCF1 (0.67) HSD17B10HTR1AHTR2AHTR7HTR3A
Lithium SCHEMBL31260768 0.72 NCF1 (0.67) HSD17B10HTR1AHTR2AHTR7HTR3A

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
EP-3224249-B1 2,2'-BIBENZO[D]IMIDAZOLIDENE COMPOUND HAVING CONDENSED RINGS AT THE 1-, 1'-, 3- AND 3'-POSITIONS, AND ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING DEVICE, IMAGE FORMING APPARATUS AND EXPOSURE UNIT, EACH CONTAINING THE SAME CANON KK (JP) 2019-08-14 EP disclosed