SCHEMBL14614566

SCHEMBL14614566

CN1CCCN(Cc2ccccc2F)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
KDM4E B2RXH2 5/20 0.67
POLB P06746 4/20 0.67
CYP2A13 Q16696 1/20 0.57
CHKA P35790 5/20 0.55
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL14986322 0.93 ALDH1A1 (0.68) ALDH1A1KDM4EPOLBCYP2A13KMT2A
Hydrochloric Acid SCHEMBL23850789 0.86 ALDH1A1 (0.85) ALDH1A1KDM4EPOLBCYP2A13KMT2A
SCHEMBL3262128 0.84 ALDH1A1 (0.96) ALDH1A1KDM4EPOLBCYP2A13KMT2A
SCHEMBL16226380 0.84 ALDH1A1 (0.81) ALDH1A1KDM4EPOLBCYP2A13KMT2A
SCHEMBL19562076 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBCYP2A13KMT2A
SCHEMBL807350 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBCYP2A13KMT2A
Hydrochloric Acid SCHEMBL7409874 0.81 ALDH1A1 (0.96) ALDH1A1KDM4EPOLBCYP2A13KMT2A
SCHEMBL12993260 0.81 KDM4E (0.68) ALDH1A1KDM4EPOLBCYP2A13CHKA
SCHEMBL19288785 0.80 KDM4E (1.00) ALDH1A1KDM4EPOLBCHKAKMT2A
SCHEMBL6384809 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBCYP2A13CHKA

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-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed