SCHEMBL11580382

SCHEMBL11580382

N=C(NC(N)=O)Nc1ccc(I)cc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.38
CA2 P00918 11/20 0.38
CA9 Q16790 1/20 0.38
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37
PTPRB P23467 1/20 0.37
PTPRE P23469 1/20 0.37
PTPN6 P29350 1/20 0.37
MAP2K2 P36507 2/20 0.34
MAP2K1 Q02750 2/20 0.34
PLK1 P53350 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL11582025 0.84 HDAC1 (0.41) CA1CA2CA9POLBCYP1A2
SCHEMBL11581488 0.84 MAPT (0.38) CA1CA2CA9F2F10
SCHEMBL11580526 0.84 MAP2K1 (0.47) MAP2K2MAP2K1
SCHEMBL11580550 0.84 CA1 (0.37) CA1CA2CA9PTPRCPTPN2
SCHEMBL11579615 0.84 KDM4E (0.40) CA1CA2CA9F2F10
SCHEMBL11580439 0.84 CYP1A2 (0.43) CA1CA2CA9PTPRCPTPN2
SCHEMBL11580880 0.80 F10 (0.43) F10PLAUPLATTSHRCYP1A2
SCHEMBL11876674 0.79 CA1 (0.37) CA1CA2CA9PTPRCPTPN2
SCHEMBL11056102 0.78 HTT (0.36) CA1CA2CA9PTPRCPTPN2
SCHEMBL11265962 0.76 CA12 (0.45) CA1CA2CA9F2

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-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed