SCHEMBL19956152

SCHEMBL19956152

NOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.49
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
LIPE Q05469 6/20 0.44
BCHE P06276 1/20 0.43
RAB9A P51151 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL8989513 0.79 KMT2A (0.56) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL14523045 0.79 KMT2A (0.51) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL706406 0.79 KMT2A (0.51) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL30980818 0.79 TSHR (0.63) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL706407 0.79 TSHR (0.63) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL4121890 0.78 HPGD (0.46) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL6270313 0.78 MRGPRX4 (0.46) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL11351938 0.78 MAPT (0.69) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL2001524 0.77 HPGD (0.48) KMT2ATSHRSMN1; SMN2HPGDTHRB
SCHEMBL6267415 0.77 MRGPRX4 (0.45) KMT2ATSHRSMN1; SMN2HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097078-B1 PYRIDINES AND PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2022-05-25 EP disclosed
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
EP-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 EP disclosed
EP-3666274-A1 CARBOXAMIDE DERIVATIVES AND USE THEREOF Purdue Pharma LP (US) 2020-06-17 EP disclosed
EP-3087059-B1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2020-04-29 EP disclosed
EP-3039019-B1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-04-22 EP disclosed
EP-3105217-B1 ISOQUINOLINE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2019-05-29 EP disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP disclosed
EP-3293184-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2018-03-14 EP disclosed