SCHEMBL4958638

SCHEMBL4958638

O=CNc1cccc2c1C(=O)N=NC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.41
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
TSHR P16473 1/20 0.35
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4955038 0.84 EGFR (0.32) PABPC1RAB9ASMN1; SMN2EGFRMAPT
SCHEMBL4954992 0.83 EGFR (0.34) PABPC1CCNE2CDK4CCND1CCNE1
SCHEMBL4956778 0.78 EGFR (0.34) PABPC1RAB9ASMN1; SMN2EGFRMAPT
SCHEMBL4954958 0.78 MAPT (0.34) PABPC1CCNE2CCNE1CDK2RAB9A
SCHEMBL4953834 0.78 EGFR (0.34) PABPC1RAB9ASMN1; SMN2EGFRMAPT
SCHEMBL4958351 0.78 MAPT (0.34) PABPC1CCNE2CDK4CCNE1CDK2
SCHEMBL4954966 0.78 EGFR (0.34) PABPC1RAB9ASMN1; SMN2EGFRMAPT
SCHEMBL4958613 0.78 MAPT (0.55) PABPC1RAB9ASMN1; SMN2EGFRMAPT
SCHEMBL4958290 0.78 EGFR (0.34) PABPC1CCNE2CCNE1CDK2RAB9A
SCHEMBL15453243 0.77 MAPT (0.53) PABPC1CCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968602-B2 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2018-05-15 US claimed
US-20140030317-A1 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES Occhiuti & Rohlicek LLP 2014-01-30 US claimed
US-7326690-B2 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2008-02-05 US claimed
US-20070142303-A1 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2007-06-21 US claimed