SCHEMBL21549574

SCHEMBL21549574

C=C(C)/N=C(\Nc1ccccc1)c1ccc2c(c1)c(C1CC1)cc(=O)n2CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
RORC P51449 1/20 0.37
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
REV1 Q9UBZ9 1/20 0.36
KDM4E B2RXH2 5/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
MMP14 P50281 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20354220 0.91 NPSR1 (0.38) ALDH1A1NPSR1MAPTLMNAPTGDR2
SCHEMBL23253818 0.80 RAB9A (0.33) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL20183746 0.78 KDM4E (0.42) ALDH1A1NPSR1MAPTLMNARORC
SCHEMBL20183585 0.77 RORC (0.54) ALDH1A1NPSR1MAPTLMNARORC
SCHEMBL20195204 0.77 KDM4E (0.41) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL20183676 0.77 KDM4E (0.44) ALDH1A1MAPTHTTKDM4EMEN1
SCHEMBL20195102 0.75 MAPT (0.43) ALDH1A1NPSR1MAPTLMNAPTGDR2
SCHEMBL20183528 0.75 KDM4E (0.48) ALDH1A1MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL20354307 0.74 KDM4E (0.36) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL20183795 0.74 KDM4E (0.38) ALDH1A1NPSR1MAPTLMNARORC

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-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed