SCHEMBL27635255

SCHEMBL27635255

N#Cc1ccc(-n2cccc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.59
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46

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
SCHEMBL26259377 0.81 KDM4E (0.50) ARKDM4ELMNAALDH1A1MAPT
SCHEMBL27635343 0.80 AR (0.50) ARIMPDH2IMPDH1
SCHEMBL27635228 0.80 AR (0.50) ARKDM4ELMNAIMPDH2IMPDH1
Hydrochloric Acid SCHEMBL27616212 0.79 AR (0.49) ARKDM4ELMNAIMPDH2IMPDH1
SCHEMBL27616210 0.79 AR (0.49) ARIMPDH2IMPDH1
SCHEMBL151936 0.78 IMPDH2 (0.64) ARKDM4EALDH1A1MAPTIMPDH2
SCHEMBL29489135 0.78 IMPDH2 (0.64) ARKDM4EALDH1A1MAPTIMPDH2
SCHEMBL11193357 0.76 IMPDH2 (0.61) ARKDM4EALDH1A1MAPTIMPDH2
SCHEMBL840625 0.75 MAPT (0.59) KDM4ELMNAALDH1A1MAPT
SCHEMBL27616229 0.74 AR (0.44) AR

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
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed