SCHEMBL28313686

SCHEMBL28313686

O=C(O)c1ccccc1C(=O)NCCBr

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
APEX1 P27695 1/20 0.61
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
KDM4E B2RXH2 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HTT P42858 3/20 0.53
TSHR P16473 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.51
USP2 O75604 1/20 0.49

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
SCHEMBL10889755 0.88 KMT2A (0.69) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL28809399 0.88 HTT (0.57) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL29696485 0.88 HTT (0.57) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL27891076 0.86 HTT (0.56) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL2080518 0.84 TSHR (0.51) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL5849754 0.83 HTT (0.63) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL9695573 0.83 HTT (0.63) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL30508514 0.81 KMT2A (0.61) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL7150327 0.81 KMT2A (0.61) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL10158103 0.81 HTT (0.68) KMT2AAPEX1LMNAMAPTKDM4E

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-110023284-A calixarene compound and curable composition DIC株式会社 2019-07-16 CN disclosed