SCHEMBL2761568

SCHEMBL2761568

CON(C)C(=O)c1ccccc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
MLYCD O95822 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KEAP1 Q14145 1/20 0.36
LMNA P02545 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CFTR P13569 1/20 0.34

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
SCHEMBL1789519 0.81 MEN1 (0.58) ENPP2KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL29956764 0.81 MEN1 (0.58) ENPP2KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL20995720 0.78 ENPP2 (0.42) ENPP2KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15938456 0.78 TSHR (0.55) TRPM8KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL28636864 0.78 SMN1; SMN2 (0.40) TRPM8KMT2ASMN1; SMN2MEN1MLYCD
SCHEMBL4611372 0.78 KMT2A (0.53) TRPM8KMT2AMEN1ALDH1A1TSHR
SCHEMBL18678765 0.77 LMNA (0.40) TRPM8KMT2AMEN1MLYCDALDH1A1
SCHEMBL8986031 0.77 MEN1 (0.69) TRPM8KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL33252 0.76 ALDH1A1 (0.56) TRPM8SMN1; SMN2ALDH1A1TSHRTP53
SCHEMBL306847 0.76 HPGD (0.54) TRPM8KMT2ASMN1; SMN2MEN1ALDH1A1

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-2012068081-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGATIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-05-24 WO disclosed
WO-2010141824-A2 USE OF TARGETED NITROXIDE AGENTS IN BONE HEALING UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-12-09 WO disclosed