SCHEMBL11396342

SCHEMBL11396342

Cn1c(N)nc2c1C(=O)N1CCN=C1N2Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
HTT P42858 3/20 0.41
CLPP Q16740 2/20 0.39
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.37
DPP4 P27487 3/20 0.37
FAP Q12884 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
FABP6 P51161 1/20 0.35
GPR132 Q9UNW8 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE4A P27815 1/20 0.34

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
Water SCHEMBL10795625 0.99 TSHR (0.54) TSHRHTTCLPPGAAGFER
SCHEMBL10795549 0.88 TSHR (0.54) TSHRHTTCLPPGAAGFER
SCHEMBL10796025 0.87 TSHR (0.51) TSHRHTTCLPPGAAGFER
SCHEMBL11060686 0.85 TSHR (0.51) TSHRHTTCLPPGAAGFER
SCHEMBL10798553 0.83 TSHR (0.56) TSHRHTTCLPPGAAGFER
SCHEMBL10800864 0.82 TSHR (0.50) TSHRHTTCLPPGAAGFER
SCHEMBL10796109 0.82 TSHR (0.48) TSHRHTTCLPPGAAGFER
SCHEMBL11067509 0.78 TSHR (0.50) TSHRHTTCLPPGAAGFER
Hydrochloric Acid SCHEMBL10795579 0.77 TSHR (0.49) TSHRHTTCLPPGAAGFER
SCHEMBL10798400 0.76 TSHR (0.55) TSHRHTTCLPPGAAGFER

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
US-4298734-A PHOSPHODIESTERASE INHIBITORS, BRONCHODILATORS, PERIPHERAL VASODILATORS MEAD JOHNSON & COMPANY (US) 1981-11-03 US disclosed