SCHEMBL9422018

SCHEMBL9422018

N#CC(N=Nc1ccc(C(F)(F)F)cc1)=NNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPAS1 Q99814 1/20 0.40
GAA P10253 2/20 0.40
GALK1 P51570 1/20 0.40
KIF11 P52732 1/20 0.39
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DHODH Q02127 2/20 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
SCHEMBL9422010 1.00 KMT2A (0.40) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
Tetramethylammonium Ion SCHEMBL9422033 0.95 KMT2A (0.40) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
Tetramethylammonium Ion SCHEMBL9422036 0.95 KMT2A (0.40) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11577481 0.94 CYP1B1 (0.41) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11580149 0.94 MAPK1 (0.42) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11577483 0.94 CYP1B1 (0.41) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11580347 0.94 MAPK1 (0.42) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11577477 0.94 CYP1B1 (0.41) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11580342 0.94 MAPK1 (0.42) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11580434 0.93 RAB9A (0.41) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340804-A In vertebrate animals ELI LILLY AND COMPANY (US) 1994-08-23 US claimed
EP-0546687-A2 Formazan parasiticides ELI LILLY AND COMPANY (US) 1993-06-16 EP claimed
US-4069320-A Substituted diphenyl-3-formazancarbonitrile insecticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-17 US claimed
JP-5239010-A None JP disclosed
US-5340804-A In vertebrate animals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
JP-H05239010-A FORMAZAN PARASITICIDE ELI LILLY & CO 1993-09-17 JP disclosed
EP-0546687-A2 Formazan parasiticides ELI LILLY AND COMPANY (US) 1993-06-16 EP disclosed
US-4098831-A NITROBENZOTRICHLORIDE OR BROMIDE PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-07-04 US disclosed
US-4069320-A Substituted diphenyl-3-formazancarbonitrile insecticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-17 US disclosed
US-4069320-A Substituted diphenyl-3-formazancarbonitrile insecticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-17 US disclosed
US-3993704-A Para-nitrobenzotribromide process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-23 US disclosed
US-3993704-A Para-nitrobenzotribromide process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-23 US disclosed