SCHEMBL9875557

SCHEMBL9875557

N#CC(C#N)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
HTT P42858 2/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
TDP1 Q9NUW8 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
GALK1 P51570 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KAT8 Q9H7Z6 1/20 0.39
RAB9A P51151 2/20 0.38
ALOX12 P18054 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
SCHEMBL9874093 0.81 ALDH1A1 (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9873806 0.81 KMT2A (0.68) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5711337 0.74 MAPT (0.50) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL27254123 0.71 MAPT (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9875455 0.70 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27244205 0.68 MAPT (0.45) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9525436 0.68 MAPT (0.58) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9525442 0.68 MAPT (0.58) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL28967912 0.67 MEN1 (0.71) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL28967915 0.67 MEN1 (0.71) MAPTMEN1KMT2ALMNASMN1; SMN2

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
US-4997805-A Heat sensitive recording material containing chromogenic dicyanomethylenepyrazolinones CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
US-4950754-A Chromogenic dicyanomethylenepyrazolinones CIBA-GEIGY CORPORATION (US) 1990-08-21 US disclosed
US-4916234-A PYRAZOLONE DYES, THERMOGRAPHY CIBA-GEIGY CORPORATION (US) 1990-04-10 US disclosed