SCHEMBL8596377

SCHEMBL8596377

C=CCN(CC=C)c1ccc(NN)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
CHKA P35790 1/20 0.40
CYP1A2 P05177 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
IDO1 P14902 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL851567 0.82 CHKA (0.50) GAACHKACYP1A2CYP3A4TDP1
SCHEMBL2361630 0.80 CA1 (0.50) GAACHKACYP1A2KMT2AMEN1
SCHEMBL9559165 0.79 MAPT (0.44) GAACHKACYP1A2KMT2AMEN1
SCHEMBL9847486 0.78 GAA (0.39) GAACHKACYP1A2KMT2AMEN1
SCHEMBL9748365 0.78 TGM2 (0.41) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL11093327 0.78 PEPD (0.48) GAAKMT2AMEN1LMNAMAPT
SCHEMBL2361806 0.77 CYP1A2 (0.49) GAACYP1A2KMT2AMEN1CYP3A4
SCHEMBL18880256 0.77 CYP1A2 (0.49) GAACHKACYP1A2KMT2AMEN1
SCHEMBL127344 0.77 ALDH1A1 (0.52) GAACHKACYP1A2KMT2AMEN1
SCHEMBL7162904 0.76 CHKA (0.46) GAACHKACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789135-A Light-and heat-sensitive recording material and recording method by use thereof KONICA CORPORATION (JP) 1998-08-04 US disclosed
EP-0779536-A1 Light-and heat-sensitive recording material and recording method by use thereof KONICA CORPORATION (JP) 1997-06-18 EP disclosed