SCHEMBL9737271

SCHEMBL9737271

CN(CCCOc1ccc(N)cc1)Cc1ccc2cc(N)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TLR7 Q9NYK1 4/20 0.41
NCF1 P14598 4/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
KCNH2 Q12809 1/20 0.39
PLAU P00749 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
APP P05067 2/20 0.37

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
SCHEMBL9736388 0.88 CYSLTR1 (0.48) GPBAR1CYSLTR2CYSLTR1
SCHEMBL9678053 0.79 LMNA (0.44) MAPTKDM4ELMNAPOLBCASP6
SCHEMBL9736902 0.79 MAPT (0.45) MAPTKDM4EALDH1A1KMT2AAPP
SCHEMBL9737428 0.78 KCNH2 (0.59) MAPTLMNAPOLBKCNH2KMT2A
SCHEMBL5765471 0.76 KDM4E (0.53) MAPTKDM4ELMNAPOLBCASP6
SCHEMBL9736383 0.76 KCNH2 (0.50) LMNAKCNH2HRH3
SCHEMBL7234281 0.72 TSHR (0.64) LMNAKMT2A
SCHEMBL2927123 0.71 LMNA (0.50) MAPTKDM4ELMNAPOLBCASP6
SCHEMBL9737655 0.71 KCNH2 (0.59) KDM4ELMNAKCNH2ALDH1A1GPBAR1
SCHEMBL188971 0.70 KDM4E (0.69) KDM4EALDH1A1HRH3

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-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed