SCHEMBL6976790

SCHEMBL6976790

O=C(Oc1cnccc1O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
JAK2 O60674 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 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
SCHEMBL27544390 0.82 POLB (0.55) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL9694189 0.79 KMT2A (0.50) KMT2AMAPTSMN1; SMN2HSD17B10USP2
SCHEMBL16744344 0.79 KMT2A (0.65) KMT2AMAPTHSD17B10LMNAALDH1A1
SCHEMBL1918507 0.78 KMT2A (0.71) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL28822923 0.77 KMT2A (0.69) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL28488504 0.76 KMT2A (0.48) KMT2AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL9480342 0.75 LMNA (0.46) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL1221234 0.75 LMNA (0.57) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL28278268 0.75 KDM4E (0.33) KMT2AMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL27821892 0.74 MAPT (0.69) KMT2AMAPTSMN1; SMN2MEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO disclosed