SCHEMBL10663191

SCHEMBL10663191

ON=Cc1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 5/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
GFER P55789 2/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10663187 1.00 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2166800 0.83 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2743367 0.83 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2166803 0.83 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL13882780 0.83 PTGES2 (0.42) ALDH1A1MAPTKMT2AHTTTRPV1
SCHEMBL10664352 0.82 PTGES2 (0.43) ALDH1A1MAPTKMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL28403578 0.81 KMT2A (0.47) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2849892 0.80 PIM1 (0.49) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2849894 0.80 PIM1 (0.49) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13322138 0.80 PIM1 (0.49) ALDH1A1MAPTRAB9ANPC1SMN1; 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-4754067-A REACTING A SYMETRICAL DIAMINOGUANIDINE WITH HYDROXYLAMINE HYDROCHLORIDE AMERICAN CYANAMID COMPANY (US) 1988-06-28 US disclosed
US-4649148-A Insecticidal uses of diaminoguanidine hydrazone compounds AMERICAN CYANAMID COMPANY (US) 1987-03-10 US disclosed
US-4575560-A ANTIFEEDING AGENTS AMERICAN CYANAMID COMPANY (US) 1986-03-11 US disclosed