SCHEMBL9507242

SCHEMBL9507242

C/N=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PTGS1 P23219 4/20 0.45
PTGS2 P35354 3/20 0.45
CYP1A2 P05177 1/20 0.44
AHR P35869 1/20 0.42
NQO2 P16083 2/20 0.42
FBP1 P09467 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9507246 1.00 LMNA (0.49) LMNAALDH1A1PTGS1PTGS2CYP1A2
SCHEMBL22389454 0.80 SMN1; SMN2 (0.48) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8782103 0.79 GRIN2D (0.55) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL8782107 0.79 GRIN2D (0.55) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL27662796 0.79 LMNA (0.50) LMNAALDH1A1PTGS1PTGS2CYP1A2
SCHEMBL25094429 0.79 GRIN2D (0.55) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL4834072 0.77 PTGS2 (0.49) LMNAALDH1A1PTGS1PTGS2CYP1A2
SCHEMBL2117755 0.77 LMNA (0.53) LMNAALDH1A1PTGS1PTGS2CYP1A2
SCHEMBL3975476 0.77 LMNA (0.53) LMNAALDH1A1PTGS1PTGS2CYP1A2
SCHEMBL17712792 0.77 LMNA (0.53) LMNAALDH1A1PTGS1PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276087-A1 BETA-ELEMENE VINYLATION COUPLED DERIVATIVE, AND PREPARATION THEREOF AND USE THEREOF IN PREPARATION OF ANTITUMOR DRUG Hangzhou Normal University (CN) 2023-11-15 EP disclosed
WO-2023127806-A1 ARYL TETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAME, AND METHOD FOR USE THEREOF 日本農薬株式会社 2023-07-06 WO disclosed
EP-0314422-B1 N-PHENYLALKYLBENZAMIDE FUNGICIDES DOWELANCO (US) 1993-07-28 EP disclosed
US-4957533-A THIOAMIDES, AMIDINES ELI LILLY AND COMPANY (US) 1990-09-18 US disclosed
EP-0314422-A2 N-phenylalkylbenzamide fungicides DOWELANCO (US) 1989-05-03 EP disclosed