SCHEMBL14970720

SCHEMBL14970720

C=CCc1cc(Cl)ccc1OCCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTGDR Q13258 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.53
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 2/20 0.48
LTA4H P09960 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL14970454 0.99 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL14970722 0.81 SMN1; SMN2 (0.55) KDM4EMEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL14966443 0.80 SMN1; SMN2 (0.53) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8704734 0.79 HRH3 (0.55) KDM4ELMNASMN1; SMN2TSHRLTA4H
Hydrochloric Acid SCHEMBL8698941 0.78 HRH3 (0.54) KDM4ELMNASMN1; SMN2TSHRLTA4H
SCHEMBL14970479 0.75 SMN1; SMN2 (0.74) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL1307575 0.74 TSHR (0.53) KDM4ETDP1LMNASMN1; SMN2TSHR
SCHEMBL12120425 0.74 CYP1A2 (0.54) KDM4EMEN1KMT2ATDP1LMNA
SCHEMBL31641414 0.73 TSHR (0.56) KDM4ETDP1LMNASMN1; SMN2TSHR
SCHEMBL14970450 0.73 KDM4E (0.92) KDM4EALDH1A1MEN1KMT2A

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
WO-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed