SCHEMBL7908225

SCHEMBL7908225

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
MAPT P10636 6/20 0.45
LMNA P02545 5/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CDK8 P49336 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6816499 0.84 ALDH1A1 (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6814866 0.80 KMT2A (0.52) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7908221 0.79 ALDH1A1 (0.67) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6815400 0.78 LMNA (0.49) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7640628 0.74 MAPT (0.48) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6819363 0.71 KMT2A (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6814833 0.70 RAB9A (0.46) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL6815262 0.69 CYP3A4 (0.49) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2008072 0.68 MEN1 (1.00) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11539501 0.68 MEN1 (0.54) MEN1KMT2AMAPTLMNAALDH1A1

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