SCHEMBL2556765

SCHEMBL2556765

CC(C)(C)C(=O)Nc1ncccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 4/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CETP P11597 1/20 0.38
TSHR P16473 1/20 0.38
ADORA1 P30542 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CFTR P13569 2/20 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
SCHEMBL1234405 0.80 METAP1 (0.45) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2494002 0.80 RAB9A (0.59) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2601270 0.80 NPC1 (0.52) L3MBTL1ALDH1A1KDM4EPOLBNPC1
SCHEMBL1375331 0.79 L3MBTL1 (0.45) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8613491 0.79 L3MBTL1 (0.53) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28729464 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29431831 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5044753 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL510235 0.79 L3MBTL1 (0.47) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18640774 0.77 DHODH (0.55) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed