SCHEMBL2554494

SCHEMBL2554494

O=C(O)CCc1cccc(N2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 2/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
AGXT P21549 1/20 0.53
PRMT6 Q96LA8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
KEAP1 Q14145 1/20 0.50
PLA2G10 O15496 3/20 0.49
PTPRB P23467 1/20 0.49
CDC25A P30304 1/20 0.49

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
SCHEMBL15330250 0.98 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL29951752 0.98 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL27526754 0.88 PRMT6 (0.55) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL30151165 0.87 KMO (0.58) MEN1KMT2AGAAMAPTAGXT
SCHEMBL10752458 0.86 PRMT6 (0.54) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL2828522 0.84 FFAR1 (0.62) FFAR4FFAR1
SCHEMBL21476129 0.81 PRMT6 (0.56) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL16880373 0.81 ITGB3 (0.64) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL4806907 0.80 AGXT (0.58) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL10695749 0.80 ITGB3 (0.66) ALDH1A1KDM4EMEN1HPGDKMT2A

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