SCHEMBL29959517

SCHEMBL29959517

O=C(O)c1cccnc1OBr

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 7/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NAPRT Q6XQN6 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DHODH Q02127 2/20 0.46
KDM6B O15054 1/20 0.46
KDM6A O15550 1/20 0.46
TET3 O43151 1/20 0.46
KDM4A O75164 1/20 0.46
KDM4B O94953 1/20 0.46

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
SCHEMBL30592857 0.81 TDP1 (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL13335723 0.81 KDM4E (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL18201 0.81 TDP1 (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL30087468 0.78 DHODH (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL123523 0.78 L3MBTL1 (0.64) ALDH1A1L3MBTL1MAPTTSHRLMNA
SCHEMBL861902 0.78 TDP1 (0.71) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL5223837 0.78 NAPRT (0.55) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL4350815 0.78 SMN1; SMN2 (0.55) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL2301749 0.78 DHODH (0.57) KDM4ETDP1ALDH1A1L3MBTL1ALOX15
SCHEMBL12653141 0.78 KDM4E (0.53) KDM4ETDP1ALDH1A1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135152-A 1, 5-diphenylpyrazolyl-3-oxyalkyl acids and 1-phenyl-5-thienylpyrazolyl-3-oxyalkyl acids and their use for controlling undesired vegetation 拜耳公司 2022-09-30 CN disclosed