SCHEMBL816394

SCHEMBL816394

C=Cc1cccc(N2CCCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AGXT P21549 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 3/20 0.41
S100B P04271 2/20 0.41
TERT O14746 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL609136 1.00 PRMT6 (0.46) PRMT6ALDH1A1GAAKDM4EMEN1
SCHEMBL607917 0.98 ALDH1A1 (0.47) PRMT6ALDH1A1GAAKDM4EMEN1
SCHEMBL609803 0.92 TP53 (0.48) ALDH1A1GAASMN1; SMN2TDP1TP53
SCHEMBL23916588 0.84 ADRA2C (0.61) ALDH1A1GAAKDM4EMEN1KMT2A
Styrene SCHEMBL27781279 0.83 TSHR (0.54) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL4769361 0.82 LMNA (0.53) ALDH1A1MEN1KMT2AAGXTMAPT
SCHEMBL13118679 0.82 HTR7 (0.57) ALDH1A1TP53MAPTHTT
SCHEMBL30770827 0.81 ALDH1A1 (0.61) PRMT6ALDH1A1GAAKDM4EMEN1
SCHEMBL1418736 0.81 ALDH1A1 (0.61) PRMT6ALDH1A1GAAKDM4EMEN1
SCHEMBL12367112 0.80 TDP1 (0.42) ALDH1A1GAAKDM4EMEN1KMT2A

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-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed