SCHEMBL8627563

SCHEMBL8627563

CCOc1ccc(F)c(C2[CH]C2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
HTR2C P28335 8/20 0.38
HTR2B P41595 8/20 0.38
HTR2A P28223 5/20 0.38
FGFR2 P21802 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
FBP1 P09467 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7526575 0.79 KDM1A (0.57) KDM1AHTR2CHTR2BHTR2A
SCHEMBL7526567 0.79 KDM1A (0.57) KDM1AHTR2CHTR2BHTR2A
SCHEMBL8630599 0.78 LARS1 (0.40) KDM1AHTR2CHTR2BHTR2AALDH1A1
SCHEMBL6901277 0.74 FFAR1 (0.42) KDM1AHTR2CHTR2BHTR2A
SCHEMBL6903831 0.74 FFAR1 (0.42) KDM1AHTR2CHTR2BHTR2A
SCHEMBL6901272 0.74 FFAR1 (0.42) KDM1AHTR2CHTR2BHTR2A
SCHEMBL12360653 0.72 L3MBTL1 (0.38) KDM1AFGFR2L3MBTL1ATMHPGD
SCHEMBL6904145 0.72 KDM1A (0.38) KDM1AHTR2CHTR2BHTR2AHCRTR1
SCHEMBL6907311 0.69 TSHR (0.40) KDM1AHTR2CHTR2BFGFR2L3MBTL1
SCHEMBL7661595 0.69 KDM1A (0.46) KDM1AHTR2CHTR2BHTR2AFGFR2

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