SCHEMBL15330708

SCHEMBL15330708

Cc1cc(=O)n(Cc2ccccc2B(O)O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
STAT1 P42224 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TNF P01375 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2556357 0.76 DCTPP1 (0.41) SMN1; SMN2CYP11B1CYP11B2DCTPP1TP53
SCHEMBL2560632 0.76 ENPP2 (0.43) SMN1; SMN2CYP11B1CYP11B2DCTPP1TP53
SCHEMBL22126105 0.74 KCNH2 (0.53) CYP11B1CYP11B2TP53MAPTMAPK1
SCHEMBL30099863 0.74 KCNH2 (0.53) CYP11B1CYP11B2TP53MAPTMAPK1
SCHEMBL15331455 0.73 POLB (0.46) MAPTLIPGALDH1A1TSHR
SCHEMBL30099869 0.72 CYP11B1 (0.66) SMN1; SMN2CYP11B1CYP11B2MAPK1ALDH1A1
SCHEMBL20547652 0.72 CYP11B1 (0.66) SMN1; SMN2CYP11B1CYP11B2MAPK1ALDH1A1
SCHEMBL21352417 0.71 MEN1 (0.42) DCTPP1TP53MAPTLIPGALDH1A1
SCHEMBL15331295 0.71 DCTPP1 (0.40) SMN1; SMN2DCTPP1MAPTLIPGALDH1A1
SCHEMBL15329564 0.69 HSD17B10 (0.49) DCTPP1MAPTLIPGALDH1A1CYP3A4

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 5 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