SCHEMBL8804228

SCHEMBL8804228

Fc1cccc(Oc2cccnc2)c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.75
TDP1 Q9NUW8 1/20 0.75
FFAR4 Q5NUL3 3/20 0.54
CYP19A1 P11511 3/20 0.53
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
GRM5 P41594 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LTA4H P09960 1/20 0.44

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
SCHEMBL676142 0.82 LMNA (0.82) LMNATDP1FFAR4CYP19A1ALDH1A1
SCHEMBL7938427 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL30535283 0.82 LMNA (0.82) LMNATDP1FFAR4CYP19A1ALDH1A1
SCHEMBL12635585 0.81 LMNA (0.62) LMNATDP1FFAR4CYP19A1ALDH1A1
SCHEMBL11959791 0.81 LMNA (0.47) LMNATDP1FFAR4ALDH1A1SMN1; SMN2
SCHEMBL22061921 0.80 LMNA (0.87) LMNATDP1FFAR4CYP19A1ALDH1A1
SCHEMBL4457253 0.80 LMNA (0.56) LMNATDP1FFAR4CYP19A1ALDH1A1
SCHEMBL9988598 0.80 LMNA (0.56) LMNATDP1FFAR4CYP19A1ALDH1A1
SCHEMBL1720331 0.80 ALDH1A1 (0.59) LMNATDP1FFAR4CYP19A1ALDH1A1
SCHEMBL6289878 0.80 ALDH1A1 (0.50) LMNATDP1ALDH1A1SMN1; SMN2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146518-A A kind of bruton's tyrosine kinase inhibitor intermediate and preparation method thereof 苏州爱玛特生物科技有限公司 2016-11-23 CN disclosed
CN-1694700-A Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-11-09 CN disclosed
EP-0556813-B1 Amphoteric tricyclic compounds as antihistaminic and antiallergic agents HOKURIKU PHARMACEUTICAL (JP) 1997-11-26 EP disclosed
US-5334594-A Antihistamines, antiallergens HOKORIKU PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
EP-0556813-A1 Amphoteric tricyclic compounds as antihistaminic and antiallergic agents HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1993-08-25 EP disclosed
US-4229457-A TREATMENT OF SENILITY WARNER-LAMBERT COMPANY (US) 1980-10-21 US disclosed