SCHEMBL9066017

SCHEMBL9066017

O=C(O)c1c(C(=O)O)c(-c2ccncc2)n2c1CCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 6/20 0.52
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.41
NAPRT Q6XQN6 1/20 0.38
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
RORC P51449 1/20 0.36
BUB1 O43683 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL9710973 0.83 KMT2A (0.60) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL1514639 0.82 KMT2A (0.74) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL1514805 0.82 KMT2A (1.00) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL1514629 0.82 KDM4E (1.00) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL6294484 0.82 KMT2A (0.69) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL9066068 0.81 KMT2A (0.64) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL1514365 0.79 KMT2A (1.00) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL6290812 0.78 KMT2A (0.44) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL9711224 0.77 KMT2A (0.70) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL1514675 0.75 KMT2A (0.60) KMT2AKDM4EMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583148-A FUNGICIDE, BACTERICIDE AND ANTICARCINOGENIC AGENT RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-12-10 US disclosed
EP-0479951-A1 BIS-ACYLOXYMETHYL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1992-04-15 EP disclosed
WO-1991000093-A1 BIS-ACYLOXYMETHYL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1991-01-10 WO disclosed