SCHEMBL2554968

SCHEMBL2554968

CNC(=S)Nc1cccc(B(O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 2/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.46
NLRP3 Q96P20 1/20 0.46
MEN1 O00255 1/20 0.45
JAK2 O60674 1/20 0.45
CYP3A4 P08684 1/20 0.44
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL6357941 0.84 ALDH1A1 (0.61) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL14360821 0.83 ALDH1A1 (0.70) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL13715294 0.82 TAS2R38 (0.53) ALDH1A1KMT2ACYP1A2GAANLRP3
SCHEMBL2557259 0.82 MAPT (0.56) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL2559389 0.82 KDM4E (0.48) ALDH1A1MAPTGAASMN1; SMN2HPGD
SCHEMBL6339307 0.79 NLRP3 (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2NLRP3
SCHEMBL9010704 0.79 KMT2A (0.59) ALDH1A1KMT2ACYP1A2GAASMN1; SMN2
SCHEMBL5443637 0.79 IDO1 (0.69) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL15332761 0.78 MAPT (0.56) ALDH1A1MAPTCYP1A2CYP2C19GAA
SCHEMBL69849 0.77 ENPP2 (0.50) ALDH1A1NLRP3KDM4ETRPV1

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