SCHEMBL5990261

SCHEMBL5990261

COc1ccc(Cl)cc1C(=NO)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
KCNMA1 Q12791 2/20 0.40
GFER P55789 1/20 0.40
HIF1A Q16665 1/20 0.40
KLF5 Q13887 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5990255 1.00 KMT2A (0.46) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL11117549 0.85 KMT2A (0.43) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL11117546 0.85 KMT2A (0.43) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL11117551 0.83 TSHR (0.44) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10657583 0.82 KMT2A (0.52) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10657588 0.82 KMT2A (0.52) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10661540 0.82 NPC1 (0.46) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10660889 0.81 NPC1 (0.45) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10660892 0.81 NPC1 (0.45) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL5990108 0.80 NPC1 (0.53) KMT2ALMNAGAANPC1SMN1; SMN2

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed