SCHEMBL7915231

SCHEMBL7915231

O=C(O)Sc1c2ccccc2nc2ccc(CC(F)(F)F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.38
TOP2B Q02880 2/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 5/20 0.35
GLA P06280 4/20 0.35
KDM1A O60341 1/20 0.35
LMNA P02545 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
PDE4B Q07343 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
GFER P55789 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL5705500 0.78 KDM4E (0.46) TOP2ATOP2BKMT2AMEN1KDM4E
SCHEMBL7915229 0.75 TLR7 (0.34) TOP2ATOP2BKMT2AKDM4EGLA
SCHEMBL6153175 0.69 APP (0.45)
SCHEMBL1478797 0.69 MEN1 (0.61) KMT2AMEN1KDM4EGLARXFP1
SCHEMBL9034439 0.64 ACP1 (0.41) KMT2AMEN1KDM4EGLAKDM1A
SCHEMBL9333487 0.61 LMNA (0.49) KMT2AMEN1KDM4EGLALMNA
SCHEMBL4163106 0.60 KDM4E (0.53) KMT2AMEN1KDM4EGLALMNA
SCHEMBL19032295 0.60 EGFR (0.38) LMNAMAPTHTT
SCHEMBL28846350 0.60 CYP1A2 (0.54) KMT2AALDH1A1
SCHEMBL4149713 0.59 KDM4E (0.51) KMT2AKDM4EGLALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218137-B1 SENSITIVE QUANTITATIVE ANALYSIS USING COMPOUND HAVING A HETEROCYCLIC RING SYSTEM BEARING AN EXOCYCLIC CARBON-CARBON DOUBLE BOND WHICH IS SUBSTITUTED AT DISTAL CARBON WITH PHOSPHATE GROUP AND OXYGEN OR SULFUR GROUP LUMIGEN, INC. 2001-04-17 US disclosed