SCHEMBL11249593

SCHEMBL11249593

O=C(NC(=S)NC(c1ccccc1)C(F)(F)F)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 4/20 0.57
EPHX1 P07099 2/20 0.51
GAA P10253 2/20 0.50
ALOX12 P18054 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MITF O75030 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL2582091 0.84 ALDH1A1 (0.58) ALDH1A1LMNAEPHX1GAAALOX12
SCHEMBL2582084 0.84 ALDH1A1 (0.58) ALDH1A1LMNAEPHX1GAAALOX12
SCHEMBL8759659 0.78 LMNA (0.53) ALDH1A1LMNAGAAKDM4ESMN1; SMN2
SCHEMBL16989172 0.76 TACR3 (0.49) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL16989173 0.76 TACR3 (0.49) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL250886 0.76 TACR3 (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2734034 0.75 LMNA (0.56) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11572811 0.75 KMT2A (0.58) ALDH1A1LMNAEPHX1GAAALOX12
SCHEMBL28056671 0.74 EPHX1 (0.70) ALDH1A1EPHX1GAAALOX12KDM4E
SCHEMBL10338251 0.73 GAA (0.50) ALDH1A1LMNAGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315020-A Oxazoline (trifluoroethyl) amine SCIENCE UNION ET CIE (FR) 1982-02-09 US disclosed
US-4315019-A Novel aryltrifluoroethylamines and processes for producing the same SCIENCE UNION ET CIE (FR) 1982-02-09 US disclosed
US-4267345-A 2-//PYRROL-2-YL, THIEN-2-YL, OR FUR-2-YL/-ALPHA-TRIFLUOROALKYL-AMINOOXAZOLINES; HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1981-05-12 US disclosed