SCHEMBL4955900

SCHEMBL4955900

C=CCNc1cccc2c1C(=O)N=NC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 6/20 0.42
HTT P42858 3/20 0.42
NSD2 O96028 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MITF O75030 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
RAB9A P51151 4/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 1/20 0.36
ALOX12 P18054 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 5/20 0.36

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
SCHEMBL6063381 0.81 NSD2 (0.49) ALDH1A1KMT2AHTTNSD2LMNA
SCHEMBL728509 0.80 KMT2A (0.47) ALDH1A1KMT2AHTTNSD2LMNA
SCHEMBL4953462 0.80 MEN1 (0.55) ALDH1A1KMT2AHTTNSD2LMNA
SCHEMBL4955038 0.80 EGFR (0.32) L3MBTL1RAB9ATDP1SMN1; SMN2MAPT
SCHEMBL4954956 0.80 NSD2 (0.41) ALDH1A1KMT2AHTTNSD2LMNA
SCHEMBL1906212 0.77 MAPT (0.56) ALDH1A1KMT2AHTTNSD2LMNA
SCHEMBL4955660 0.77 MEN1 (0.42) ALDH1A1KMT2AHTTNSD2LMNA
SCHEMBL11408020 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AHTTNSD2LMNA
SCHEMBL4958638 0.75 PABPC1 (0.41) ALDH1A1KMT2ALMNAL3MBTL1RAB9A
SCHEMBL5420918 0.75 KMT2A (0.57) ALDH1A1KMT2AHTTNSD2LMNA

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