SCHEMBL2554866

SCHEMBL2554866

COCCCNC(=O)COc1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 1/20 0.51
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2560146 0.93 HPGD (0.61) HPGDKMT2AMEN1CYP1A2CYP2C19
SCHEMBL29957242 0.88 TSHR (0.56) KMT2AMEN1TSHRRECQLNPC1
SCHEMBL2559020 0.85 ALDH1A1 (0.57) KMT2AMEN1TSHRRECQLSMN1; SMN2
SCHEMBL2557379 0.85 ALDH1A1 (0.59) HPGDKMT2AMEN1CYP1A2CYP2C19
SCHEMBL29952545 0.82 ALDH1A1 (0.60) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15330338 0.81 HTT (0.56) HPGDKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL695627 0.80 NPC1 (0.57) HPGDKMT2AMEN1CYP1A2CYP2C19
SCHEMBL15330353 0.80 GAA (0.56) HPGDKMT2AMEN1CYP1A2CYP2C19
SCHEMBL5014995 0.79 MAOA (0.52) RECQLSMN1; SMN2POLBNPC1RAB9A
SCHEMBL13932642 0.79 UNG (0.54) KMT2AMEN1SMN1; SMN2POLBNPC1

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