SCHEMBL27835623

SCHEMBL27835623

CC[C@@H](C(=N)C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL27721904 1.00 KMT2A (0.41) KMT2ACYP1A2CNR2LMNAHSD17B10
SCHEMBL27820015 0.84 LMNA (0.53) KMT2ALMNAHSD17B10CRHBPCRHR2
SCHEMBL27953751 0.83 CRHBP (0.41) CYP1A2CNR2LMNAHSD17B10CRHBP
SCHEMBL10443280 0.82 KMT2A (0.43) KMT2ACYP1A2CNR2LMNAHSD17B10
SCHEMBL25377657 0.82 KMT2A (0.53) KMT2ACYP1A2LMNAHSD17B10ALDH1A1
SCHEMBL6766 0.82 KMT2A (0.53) KMT2ACYP1A2LMNAHSD17B10ALDH1A1
SCHEMBL9680703 0.81 CYP1A2 (0.48) KMT2ACYP1A2LMNAHSD17B10SMN1; SMN2
SCHEMBL27580033 0.79 RAB9A (0.36) KMT2ACYP1A2LMNASMN1; SMN2RAB9A
SCHEMBL9680223 0.77 CYP1A2 (0.44) KMT2ACYP1A2LMNAHSD17B10RAB9A
SCHEMBL2720268 0.77 ALOX5 (0.47) KMT2ACYP1A2RAB9AMEN1ALOX5

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
CN-102036955-B Hydroxamate-based inhibitors of deacetylase B NOVARTIS AG 2013-03-27 CN disclosed
CN-102036955-A Hydroxamate-based inhibitors of deacetylase B NOVARTIS AG 2011-04-27 CN disclosed