SCHEMBL7745933

SCHEMBL7745933

CCCC(N)(CCC)C(=O)Nc1ccc(N(S)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1H2 P55055 5/20 0.36
NR1H3 Q13133 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
RORC P51449 1/20 0.35
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
PDK1 Q15118 4/20 0.34
PDK2 Q15119 4/20 0.34
PDK3 Q15120 4/20 0.34
PDK4 Q16654 4/20 0.34
IDO1 P14902 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL6815618 0.92 CA1 (0.37) MEN1KMT2ANR1H2NR1H3CA1
SCHEMBL6811728 0.87 CA1 (0.38) NR1H2NR1H3CA1CA2CA9
SCHEMBL6819495 0.84 CA1 (0.45) MEN1KMT2ATDP1CA1CA2
SCHEMBL7161462 0.81 KMT2A (0.40) MEN1KMT2ATDP1CA1CA2
SCHEMBL6814849 0.80 CYP1A2 (0.43) MEN1KMT2ATDP1RORCHDAC1
SCHEMBL7745941 0.80 ALDH1A1 (0.48) MEN1KMT2ARORCSMN1; SMN2POLB
SCHEMBL6818985 0.80 POLB (0.46) MEN1KMT2ATDP1CA1CA2
SCHEMBL6814933 0.79 SMN1; SMN2 (0.53) MEN1KMT2ATDP1CA1CA2
SCHEMBL6815906 0.79 ALDH1A1 (0.44) MEN1KMT2ACA1CA2SMN1; SMN2
SCHEMBL6819323 0.77 CACNA1B (0.51) MEN1KMT2AHDAC1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed