SCHEMBL6858355

SCHEMBL6858355

COCc1ccc2c(c1)c(=O)[nH]c1nnc(N3CCCCCC3)n12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PARP1 P09874 1/20 0.32
TNK1 Q13470 1/20 0.32
CHEK1 O14757 1/20 0.32
LMNA P02545 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31

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
SCHEMBL6854844 0.80 MAT2A (0.43) ALDH1A1TSHRMAPK1PARP1LMNA
SCHEMBL6855823 0.78 PIM1 (0.35) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL6858242 0.77 HPGD (0.41) ALDH1A1TSHRPARP1KDM4EMAPT
SCHEMBL6858383 0.62 MAPT (0.45) LMNAMAPTMEN1KMT2A
SCHEMBL6853905 0.60 L3MBTL1 (0.47) ALDH1A1MAPK1LMNAKDM4EMAPT
SCHEMBL15850291 0.60 CHKA (0.47) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL6850089 0.59 PLK1 (0.44) ALDH1A1MAPK1LMNAKDM4EMAPT
SCHEMBL6850076 0.58 MAPT (0.46) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL6850114 0.58 PLK1 (0.45) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL6855784 0.58 MAPT (0.46) ALDH1A1TSHRMAPK1LMNAKDM4E

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-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed