SCHEMBL11404208

SCHEMBL11404208

O=C(O)c1ccccc1/N=C/c1ccc(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.51
▸ KDM4E B2RXH2 8/20 0.51
▸ HPGD P15428 7/20 0.51
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ PLA2G7 Q13093 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ AKR1C3 P42330 1/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ PTGS2 P35354 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43

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
SCHEMBL11404211 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL11408177 0.87 KDM4E (0.53) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL11408174 0.87 KDM4E (0.53) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL11404090 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL11404092 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTLMNA
N-Benzylideneanthranilic Acid SCHEMBL11423123 0.81 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDMAPTLMNA
N-Benzylideneanthranilic Acid SCHEMBL11423120 0.81 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDMAPTLMNA
N-Benzylideneanthranilic Acid SCHEMBL19924599 0.81 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL11408187 0.79 PTGS2 (0.50) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL11408184 0.79 PTGS2 (0.50) ALDH1A1KDM4EHPGDMAPTLMNA

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-4187317-A Sunscreen and erythema treating with N-benzylidene anilenes WILLIAM H. RORER, INC. (US) 1980-02-05 — — US disclosed
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