SCHEMBL9378268

SCHEMBL9378268

CC(C)C1CC=NN1C(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.62
PIK3CD O00329 1/20 0.57
ALDH1A1 P00352 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL179757 0.82 RIPK1 (0.66) RIPK1PIK3CDALDH1A1CHRNB2CHRNB4
SCHEMBL179758 0.82 RIPK1 (0.66) RIPK1PIK3CDALDH1A1CHRNB2CHRNB4
SCHEMBL29595423 0.82 RIPK1 (0.66) RIPK1PIK3CDALDH1A1CHRNB2CHRNB4
SCHEMBL2481688 0.82 RIPK1 (0.66) RIPK1PIK3CDALDH1A1CHRNB2CHRNB4
SCHEMBL9378435 0.79 RIPK1 (0.62) RIPK1PIK3CDALDH1A1CHRNB2CHRNB4
SCHEMBL9378120 0.77 RIPK1 (0.88) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9379168 0.77 RIPK1 (0.63) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9383151 0.77 RIPK1 (0.59) RIPK1PIK3CDALDH1A1CHRNB2CHRNB4
SCHEMBL12204414 0.76 RIPK1 (0.62) RIPK1ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9370134 0.76 RIPK1 (1.00) RIPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP claimed
EP-0295695-B1 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1994-06-08 EP disclosed
US-4990529-A Nervous system disorder MITSUI TOATSU CHEMICALS (JP) 1991-02-05 US disclosed
US-4839376-A Pyrazoline derivatives for treating cerebrovascular diseases MITSUI TOATSU CHEMICALS, INC. (JP) 1989-06-13 US disclosed
EP-0295695-A2 Pyrazoline derivatives and agents for treating cerebrovascular diseases containing the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-21 EP disclosed