SCHEMBL8991877

SCHEMBL8991877

O=Cc1cnc(N(N=NNc2ccccc2)c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
APP P05067 1/20 0.32
CYP1A1 P04798 1/20 0.31
TSHR P16473 1/20 0.31
CYP1B1 Q16678 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 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
SCHEMBL8743006 0.78 MEN1 (0.50) ALDH1A1KDM4EMAPTMEN1PSMD14
SCHEMBL8991872 0.74 TDP1 (0.42) ALDH1A1KDM4EMAPTMEN1PSMD14
SCHEMBL590788 0.73 TDP1 (0.48) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL8743302 0.71 AURKA (0.39) ALDH1A1MEN1LMNAKMT2AUSP2
SCHEMBL8767788 0.69 NPC1 (0.48) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL30389399 0.68 USP2 (0.44) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL2108122 0.64 CYP1A1 (0.36) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL9752063 0.63 CYP1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A1TSHR
SCHEMBL8606810 0.63 KMT2A (0.60) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL8747000 0.63 CYP1A1 (0.35) ALDH1A1MEN1KMT2AUSP2CYP1A1

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-5308825-A Thermal dye transfer printing AGFA-GEVAERT, N.V. (BE) 1994-05-03 US claimed
US-5510225-A CONTAINS ANILINE AZO DYE IN A DYE LAYER CARRIED BY POLYMERIC BINDER RESIN ON A SUPPORT AGFA-GEVAERT, N.V. (BE) 1996-04-23 US disclosed
US-5308825-A Thermal dye transfer printing AGFA-GEVAERT, N.V. (BE) 1994-05-03 US disclosed
EP-0522207-A1 Thermal dye transfer printing method and dye-donor element for use according to said method AGFA-GEVAERT N.V. (BE) 1993-01-13 EP disclosed