SCHEMBL28054792

SCHEMBL28054792

O=C(C(Cn1cncn1)c1ccccc1)C(Cn1cncn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CYP19A1 P11511 1/20 0.47
IDH1 O75874 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL11001574 0.87 KMT2A (0.62) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL28282814 0.85 KMT2A (0.49) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL27602500 0.85 CYP19A1 (0.55) KMT2AMEN1ALDH1A1LMNACYP19A1
SCHEMBL27575719 0.84 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL10888136 0.80 KMT2A (0.53) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL10959984 0.80 CYP19A1 (0.56) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL27775612 0.80 CYP1A2 (0.42) KMT2AMEN1ALDH1A1CYP19A1
SCHEMBL7815542 0.79 CYP19A1 (0.51) KMT2AMEN1ALDH1A1LMNACYP19A1
SCHEMBL7815541 0.79 CYP19A1 (0.51) KMT2AMEN1ALDH1A1LMNACYP19A1
SCHEMBL7783933 0.79 TSHR (0.58) KMT2AMEN1ALDH1A1LMNAHTT

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
CN-105367564-A N-[4-phenyl-5-(1,2,4-triazole-1-yl)thiazole-2-yl]amide and preparation and application thereof UNIV HUNAN 2016-03-02 CN claimed
CN-105367564-B N [base of 4 phenyl 5 (base of 1,2,4 triazole 1) thiazole 2] acid amides and its preparation and application 湖南大学 2018-03-23 CN disclosed
CN-105367564-A N-[4-phenyl-5-(1,2,4-triazole-1-yl)thiazole-2-yl]amide and preparation and application thereof UNIV HUNAN 2016-03-02 CN disclosed