SCHEMBL21729522

SCHEMBL21729522

CCCOCn1ccnc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.39
FDPS P14324 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL2513945 0.85 KMT2A (0.53) KMT2AALDH1A1POLBCYP1A2CYP3A4
SCHEMBL19794294 0.84 ALDH1A1 (0.62) KMT2AALDH1A1POLBCYP1A2CYP3A4
SCHEMBL1488779 0.82 KMT2A (0.43) KMT2AALDH1A1POLBTSHRFDPS
SCHEMBL24527136 0.81 KMT2A (0.42) KMT2AALDH1A1POLBTSHRFDPS
SCHEMBL20309584 0.77 ALDH1A1 (0.36) KMT2AALDH1A1POLBL3MBTL1TLR8
SCHEMBL20309522 0.77 MAPT (0.39) KMT2AALDH1A1POLBL3MBTL1TLR8
SCHEMBL24540417 0.76
SCHEMBL4772963 0.75 KMT2A (0.59) KMT2AALDH1A1POLBTSHRFDPS
SCHEMBL8678546 0.75 KMT2A (0.60) KMT2AALDH1A1POLBTSHRFDPS
SCHEMBL5438077 0.74 ALDH1A1 (0.59) KMT2AALDH1A1POLBCYP1A2CYP3A4

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
WO-2020035466-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed
WO-2020035464-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed