SCHEMBL2554053

SCHEMBL2554053

CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1B(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 2/20 0.53
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 1/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TRPC1 P48995 1/20 0.45

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
SCHEMBL2556193 0.88 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL2559477 0.87 HTT (0.71) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL2560991 0.86 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL5680826 0.84 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6405411 0.84 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL15331077 0.83 MAPT (0.72) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL31636462 0.82 ALDH1A1 (0.57) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6527991 0.82 ALDH1A1 (0.81) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6403552 0.82 ALDH1A1 (0.57) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6407442 0.81 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2TSHRHTT

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