SCHEMBL5846460

SCHEMBL5846460

CCCCc1nc(C)c[nH]1.CCc1nc(C)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
PARP1 P09874 1/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
GPR84 Q9NQS5 2/20 0.33
NOS2 P35228 1/20 0.33
GSK3B P49841 1/20 0.32

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
SCHEMBL2037718 0.94 HRH3 (0.42) HRH3ALDH1A1MAPK1PARP1PKM
Hydrochloric Acid SCHEMBL14743464 0.92 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
Bromide SCHEMBL27667394 0.92 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
Water SCHEMBL27852290 0.92 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL5897906 0.89 ALDH1A1 (0.43) ALDH1A1PKMHPGDGPR84
SCHEMBL14744378 0.87 HRH3 (0.38) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL27686422 0.87 HRH3 (0.38) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL24880067 0.87 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84
SCHEMBL83498 0.87 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84
SCHEMBL9956114 0.87 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84

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
US-7041399-B2 Varnish for laminate or prepreg, laminate or prepreg obtained with this varnish, and printed circuit board made with this laminate or prepreg HITACHI CHEMICAL CO., LTD. (JP) 2006-05-09 US disclosed
US-20040034129-A1 Varnish for laminate or prepreg, laminate or prepreg obtained with this varnish, and printed circuit board made with this laminate or prepreg HITACHI CHEMICAL CO., LTD. (JP) 2004-02-19 US disclosed