SCHEMBL8430862

SCHEMBL8430862

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NS

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.61
EPAS1 Q99814 1/20 0.59
MAPT P10636 7/20 0.58
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
KCNMA1 Q12791 1/20 0.54
KMT2A Q03164 3/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKR1B1 P15121 1/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL28301176 0.85 MAPK1 (0.62) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL11582855 0.84 MAPK1 (0.58) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL4490148 0.83 MAPK1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL9210909 0.83 MAPK1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL28299521 0.83 MAPK1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL116971 0.83 MAPK1 (0.65) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL28300949 0.83 MAPK1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL11199548 0.81 EPAS1 (0.61) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL7952225 0.81 MAPK1 (0.58) MAPK1EPAS1MAPTALDH1A1GAA
SCHEMBL11392520 0.81 MAPK1 (0.84) MAPK1EPAS1MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877195-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
US-5863933-A NEMATOCIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
US-5656649-A PESTICIDE, INSECTICIDES, NEMATOCIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-08-12 US disclosed
US-5585395-A INSECTICIDES, MITICIDES, FUNGICIDES, HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5504214-A Fluorinated benzotriazoles BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
US-5484953-A CHEMICAL INTERMEDIATES FOR BENZIMIDAZOLES FOR INSECTICIDES OR NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed