SCHEMBL23929830

SCHEMBL23929830

CC(C(N)=O)N(OC(F)(F)F)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
EPHX1 P07099 3/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
TACR1 P25103 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL30660130 0.73 ALOX5 (0.42) MLYCDMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL6012131 0.71 NPSR1 (0.38) MLYCDMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL1821413 0.71 ALOX5 (0.43) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8586520 0.71 ALOX5 (0.43) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL7421118 0.70 CPA1 (0.43) CYP1A2
SCHEMBL7421113 0.70 CPA1 (0.43) CYP1A2
SCHEMBL8802828 0.68 ALDH1A1 (0.46) MLYCDMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL17681664 0.68 KMT2A (0.38) MLYCDMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL11797767 0.68 KMT2A (0.41) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL5170181 0.67 NPSR1 (0.40) MLYCDMEN1KMT2ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139286-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2023-03-01 EP claimed
WO-2021214019-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-10-28 WO claimed