SCHEMBL8737418

SCHEMBL8737418

Nc1ccc(N)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.Nc1ccc(N)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.Nc1cccc(C(F)(F)C(F)(F)F)c1N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.30

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
SCHEMBL30469491 0.85 TSHR (0.44) TSHRGLAPOLBGAAMAPK1
SCHEMBL1050419 0.85 TSHR (0.44) TSHRGLAPOLBGAAMAPK1
SCHEMBL3187513 0.83 TSHR (0.45) TSHRGLAPOLBGAAMAPK1
SCHEMBL30469492 0.83 TSHR (0.45) TSHRGLAPOLBGAAMAPK1
SCHEMBL3625418 0.78 CD44 (0.39) TSHRGLAPOLBGAAMAPK1
SCHEMBL30469485 0.78 CD44 (0.39) TSHRGLAPOLBGAAMAPK1
SCHEMBL29140660 0.78 TSHR (0.50) TSHRGLAPOLBGAAMAPK1
Benzidine SCHEMBL8734089 0.77 KIF11 (0.42) TSHRGLAPOLBGAA
SCHEMBL2255922 0.75 SMN1; SMN2 (0.36) TSHRGLAPOLBGAAMAPK1
SCHEMBL6286272 0.75 SMN1; SMN2 (0.36) TSHRGLAPOLBGAAMAPK1

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-0675915-B1 PHOTODEFINABLE OPTICAL WAVEGUIDES AMOCO CORP (US) 1998-02-25 EP claimed