SCHEMBL22736746

SCHEMBL22736746

C=NN(C)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.47
NR1H2 P55055 1/20 0.47
BAX Q07812 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PGR P06401 5/20 0.44
FFAR1 O14842 1/20 0.43
MAOA P21397 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL13189723 0.81 MEN1 (0.42) TSHRLMNASMN1; SMN2HPGDALDH1A1
SCHEMBL12700566 0.77 LTA4H (0.57) LTA4HNR1H2BAXTSHRLMNA
SCHEMBL12700488 0.75 LTA4H (0.55) LTA4HNR1H2BAXTSHRLMNA
SCHEMBL19075446 0.74 LTA4H (0.52) LTA4HNR1H2BAXTSHRLMNA
SCHEMBL21075778 0.73 LTA4H (0.47) LTA4HNR1H2BAXTSHRLMNA
SCHEMBL8943822 0.72 LTA4H (0.63) LTA4HNR1H2BAXTSHRLMNA
SCHEMBL8943609 0.72 LTA4H (0.63) LTA4HNR1H2BAXTSHRLMNA
SCHEMBL22129853 0.71 LTA4H (0.92) LTA4HNR1H2BAXTSHRMEN1
SCHEMBL3893562 0.71 LTA4H (0.92) LTA4HNR1H2BAXTSHRMEN1
SCHEMBL122719 0.71 LTA4H (0.92) LTA4HNR1H2BAXTSHRMEN1

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-3492471-B1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE SHENZHEN TARGETRX INC (CN) 2020-12-02 EP disclosed