SCHEMBL9370341

SCHEMBL9370341

C/C=C/C(=O)C(=O)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
NAPRT Q6XQN6 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
ADORA3 P0DMS8 1/20 0.48
TSHR P16473 1/20 0.48
MC4R P32245 1/20 0.48
ADRA1A P35348 1/20 0.48
MC3R P41968 1/20 0.48
BAZ2B Q9UIF8 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29102010 0.81 KDM4E (0.53) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL7618500 0.78 KDM4E (0.70) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL25894870 0.76 BAZ2B (0.48) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL27497486 0.72 KDM4E (0.68) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL7702024 0.72 KDM4E (0.50) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL27791569 0.72 KDM4E (0.55) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL29993937 0.70
SCHEMBL78340 0.70
SCHEMBL3186159 0.69 KDM4E (0.70) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL29742199 0.69 KDM4E (0.61) KDM4ENAPRTHCAR2ADORA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322691-B1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS (JP) 1994-06-15 EP disclosed
US-4895947-A Process for producing 1-acyl-2-pyrazoline derivative MITSUI TOATSU CHEMICALS, INC. (JP) 1990-01-23 US disclosed
EP-0322691-A1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-07-05 EP disclosed