SCHEMBL10908372

SCHEMBL10908372

C=Cc1cccc(C(N)(N)CNCC)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNN4 O15554 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL10909311 0.82 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL16033458 0.77 TP53 (0.46) TP53TDP1ALDH1A1TSHRNFE2L2
SCHEMBL16032971 0.74 TP53 (0.50) TP53TDP1ALDH1A1TSHRNFE2L2
SCHEMBL16033349 0.74 TP53 (0.43) TP53TDP1ALDH1A1TSHRNFE2L2
SCHEMBL16034166 0.72 TP53 (0.41) TP53TDP1ALDH1A1TSHRNFE2L2
SCHEMBL5039131 0.71 TP53 (0.47) TP53TDP1ALDH1A1TSHRNFE2L2
SCHEMBL3281226 0.70 TP53 (0.46) TP53TDP1ALDH1A1TSHR
SCHEMBL16033598 0.70 TP53 (0.46) TP53TDP1ALDH1A1TSHRNFE2L2
SCHEMBL16033815 0.70 TP53 (0.41) TP53TDP1ALDH1A1TSHRNFE2L2
SCHEMBL27489105 0.70 TAAR1 (0.52) TP53TDP1ALDH1A1TSHRNFE2L2

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-4599175-A CHELATING RESIN ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-07-08 US disclosed