SCHEMBL5318529

SCHEMBL5318529

NC1(N)C=CC(c2cccc(C(F)(F)F)c2)C=C1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
RCOR1 Q9UKL0 1/20 0.43
HTR2C P28335 4/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.34

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
SCHEMBL4600535 0.69 KDM1A (0.36) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL10601313 0.67 HTR2C (0.50) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL1627852 0.67 HTR2A (0.36) HTR2CHTR2AHTR2BDRD2
SCHEMBL9879753 0.65 HTR2C (0.39) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL1628429 0.65 KDM1A (0.41) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL6403006 0.65 CYP3A4 (0.35)
SCHEMBL92031 0.63 TSHR (0.52) KDM1AHTR2CHTR2AHTR2BTSHR
SCHEMBL25121942 0.62 HTR2C (0.56) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL1065758 0.62 HTR2C (0.77) KDM1ARCOR1HTR2CHTR2AHTR2B
SCHEMBL8233501 0.62 KDM1A (0.69) KDM1ARCOR1HTR2CHTR2AHTR2B

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
WO-2023140322-A1 WEAK-ANCHORING LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CYRSTAL DISPLAY ELEMENT 日産化学株式会社 2023-07-27 WO disclosed
WO-2007092011-A1 PHOTOSENSITIVE POLYIMIDE COMPOSITION AND POLYIMIDE PRECURSOR COMPOSITION CENTRAL GLASS CO., LTD. (JP) 2007-08-16 WO disclosed