SCHEMBL7010056

SCHEMBL7010056

CN1CCN(C(=O)c2ccccc2B(O)O)CC1.O=C(O)c1ccc(B(O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.48
CYP2C9 P11712 1/20 0.48
GRM5 P41594 1/20 0.48
KMT2A Q03164 2/20 0.47
TSHR P16473 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL7010051 0.86 POLB (0.59) POLBCYP2C9GRM5KMT2ATSHR
SCHEMBL6411599 0.86 L3MBTL1 (0.69) L3MBTL1POLBMAPTCYP2C9GRM5
SCHEMBL532147 0.80 POLB (0.65) L3MBTL1POLBCYP2C9GRM5KMT2A
SCHEMBL29954605 0.80 HTT (0.58) L3MBTL1KMT2ATSHRALDH1A1MEN1
Hydrochloric Acid SCHEMBL2550272 0.79 POLB (0.63) L3MBTL1POLBCYP2C9GRM5KMT2A
SCHEMBL11887769 0.76 L3MBTL1 (0.81) L3MBTL1POLBMAPTGRM5KMT2A
SCHEMBL14980308 0.75 POLB (0.72) L3MBTL1POLBCYP2C9GRM5KMT2A
SCHEMBL10722273 0.75 L3MBTL1 (0.74) L3MBTL1POLBMAPTGRM5KMT2A
SCHEMBL29253633 0.74 HPGD (0.61) L3MBTL1POLBGRM5KMT2ATSHR
SCHEMBL29956909 0.74 HTT (0.64) L3MBTL1POLBKMT2ATSHRHPGD

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
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed