SCHEMBL28612286

SCHEMBL28612286

O=C(NCc1ccc(OC(F)(F)F)cc1)c1nnc(-c2cccs2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
CTSB P07858 1/20 0.52
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
ESR1 P03372 1/20 0.49
ADCY1 Q08828 2/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SCN3A Q9NY46 1/20 0.44
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 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
SCHEMBL28600513 0.87 KMT2A (0.52) KMT2ALMNASMN1; SMN2MEN1ESR1
SCHEMBL28605302 0.85 KMT2A (0.60) KMT2ALMNASMN1; SMN2MEN1ESR1
SCHEMBL28606571 0.84 SMN1; SMN2 (0.65) KMT2ALMNASMN1; SMN2MEN1ADCY1
SCHEMBL28617791 0.83 ALDH1A1 (0.53) KMT2ALMNASMN1; SMN2MEN1ESR1
SCHEMBL28607736 0.83 KMT2A (0.60) KMT2ALMNASMN1; SMN2MEN1ESR1
SCHEMBL28603715 0.82 LMNA (0.50) CTSLCTSSCTSKKMT2ALMNA
SCHEMBL28617395 0.80 CTSL (0.51) CTSLCTSSCTSKCTSBLMNA
SCHEMBL28605930 0.78 KMT2A (0.57) KMT2ALMNASMN1; SMN2MEN1ESR1
SCHEMBL28609658 0.78 THRB (0.56) KMT2ALMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL28606577 0.78 KMT2A (0.49) KMT2ALMNASMN1; SMN2MEN1ESR1

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
CN-113214236-B Preparation method of thiophene bi-1, 3, 4-oxadiazole formamide compounds, products and application thereof 南京林业大学 2022-01-04 CN disclosed
CN-113214236-A Preparation method of thiophene bi-1, 3, 4-oxadiazole formamide compounds, products and application thereof 南京林业大学 2021-08-06 CN disclosed