SCHEMBL21075778

SCHEMBL21075778

C=CN(C)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.44
PGR P06401 4/20 0.44
FFAR1 O14842 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
HPGD P15428 2/20 0.41
TGM2 P21980 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3293248 0.81 MEN1 (0.42) TSHRLMNAALDH1A1POLBRAB9A
Hydrochloric Acid SCHEMBL27914281 0.79 MEN1 (0.41) TSHRLMNAALDH1A1POLBRAB9A
SCHEMBL12700566 0.77 LTA4H (0.57) LTA4HTSHRLMNAPGRFFAR1
SCHEMBL12700488 0.75 LTA4H (0.55) LTA4HTSHRLMNAPGRFFAR1
Diphenylether SCHEMBL15334207 0.74 LTA4H (0.67) LTA4HTSHRLMNAPGRSMN1; SMN2
Diphenylether SCHEMBL1219104 0.74 LTA4H (0.67) LTA4HTSHRLMNAPGRSMN1; SMN2
Diphenylether SCHEMBL21050498 0.74 LTA4H (0.67) LTA4HTSHRLMNAPGRSMN1; SMN2
SCHEMBL19075446 0.74 LTA4H (0.52) LTA4HTSHRLMNAPGRFFAR1
SCHEMBL22736746 0.73 LTA4H (0.47) LTA4HTSHRLMNAPGRFFAR1
SCHEMBL8943822 0.72 LTA4H (0.63) LTA4HTSHRLMNASMN1; SMN2ALDH1A1

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-A1 FUSED BICYCLIC COMPOUND FOR INHIBITING ACTIVITY OF TYROSINE KINASE Shenzhen Targetrx, Inc. (CN) 2019-06-05 EP disclosed