SCHEMBL8630599

SCHEMBL8630599

CCOc1ccc(Cl)c(C2[CH]C2)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 2/20 0.40
HTR2C P28335 9/20 0.38
HTR2A P28223 8/20 0.38
HTR2B P41595 4/20 0.37
KDM1A O60341 2/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6906205 0.79 KDM1A (0.54) LARS1HTR2CHTR2AHTR2BKDM1A
SCHEMBL8627563 0.78 KDM1A (0.39) HTR2CHTR2AHTR2BKDM1ALMNA
SCHEMBL6907447 0.74 FFAR4 (0.41) LARS1HTR2CHTR2AHTR2BKDM1A
SCHEMBL17527769 0.73 L3MBTL1 (0.48) KDM1AMAPTALDH1A1SMN1; SMN2
SCHEMBL12360652 0.72 TP53 (0.36) LARS1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6904152 0.72 CA12 (0.41) LARS1HTR2CHTR2AHTR2BKDM1A
SCHEMBL4412687 0.71 ALDH1A1 (0.41) LARS1HTR2CHTR2AKDM1AMAPT
SCHEMBL4406805 0.71 TRPV4 (0.37) LARS1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL19890544 0.69 L3MBTL1 (0.41) LARS1HTR2CHTR2AHTR2BKDM1A
SCHEMBL4403785 0.69 ALDH1A1 (0.39) LARS1MAPTLMNAALDH1A1SMN1; SMN2

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
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed