SCHEMBL7908221

SCHEMBL7908221

O=C(CF)Nc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
LMNA P02545 3/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.52
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6816495 0.82 ALDH1A1 (0.84) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL6815396 0.80 ALDH1A1 (0.64) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL17956801 0.79 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL7908225 0.79 MEN1 (0.49) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL6815404 0.79 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL10242286 0.79 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL6814864 0.77 KMT2A (0.58) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL1514611 0.75 ALOX15 (0.61) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL6811642 0.74 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL16566479 0.73 ALDH1A1 (0.70) ALDH1A1LMNAKDM4EPOLBKMT2A

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-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed