SCHEMBL9640867

SCHEMBL9640867

N=C(N)NN(NC(N)=O)C(N)=O

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.30
NFKB1 P19838 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA5A P35218 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
CA9 Q16790 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
SCHEMBL7756366 0.87 LMNA (0.39) TSHRNFKB1CYP1A2MAOAMAOB
SCHEMBL8435949 0.84 TSHR (0.37) TSHRNFKB1CYP1A2MAOAMAOB
SCHEMBL8434166 0.84 TSHR (0.37) TSHRNFKB1CYP1A2MAOAMAOB
SCHEMBL31457449 0.69
SCHEMBL2891405 0.67 ACHE (0.35) TSHRNFKB1CYP1A2MAOAMAOB
SCHEMBL28654635 0.67
SCHEMBL6256698 0.66 ALOX15 (0.41) NFKB1CYP1A2MAOALMNACYP3A4
SCHEMBL3268098 0.65
SCHEMBL28765986 0.63
SCHEMBL1724780 0.62

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-5168061-A Pregnancy regulator BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-12-01 US disclosed