SCHEMBL6549159

SCHEMBL6549159

c1ccc(C[N+]2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CALM1 P0DP23 1/20 0.43
CHKA P35790 4/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 2/20 0.38
MAOB P27338 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9318596 0.90 TP53 (0.42) TP53CALM1CHKAALDH1A1TSHR
SCHEMBL368538 0.87 CHKA (0.40) TP53CALM1CHKAALDH1A1TSHR
SCHEMBL5100518 0.85 TP53 (0.39) TP53CALM1CHKAALDH1A1TSHR
SCHEMBL11155177 0.84 SIGMAR1 (0.44) TP53CALM1ALDH1A1TSHRSIGMAR1
SCHEMBL348590 0.80 ALDH1A1 (0.39) TP53ALDH1A1TSHR
SCHEMBL349052 0.77 GBA1 (0.39) ALDH1A1TSHRSMN1; SMN2
SCHEMBL2220376 0.73 ALDH1A1 (0.32) TP53CALM1CHKAALDH1A1TSHR
SCHEMBL6551146 0.70 SIGMAR1 (0.47) ALDH1A1IDO1SMN1; SMN2SIGMAR1HPGD
SCHEMBL13283227 0.69 CHKA (0.61) TP53CHKAALDH1A1LMNASMN1; SMN2
SCHEMBL93665 0.67 CHKA (0.59) CHKAALDH1A1LMNASMN1; SMN2HTT

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
EP-1014999-B1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GENZYME CORP (US) 2004-12-08 EP claimed