SCHEMBL9537300

SCHEMBL9537300

Cc1cc(-c2ccccc2C(F)(F)F)c2nc(C(F)(F)F)nn2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.43
TRPA1 O75762 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
NTSR1 P30989 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CRHR1 P34998 2/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9537294 0.76 KDM4E (0.41) LMNASMN1; SMN2
SCHEMBL9535626 0.75 HSD11B1 (0.42) HSD11B1TRPA1TRPM8TRPV1KMT2A
SCHEMBL805589 0.66 HSD11B1 (0.51) HSD11B1TRPA1TRPM8TRPV1LMNA
SCHEMBL22171634 0.66 HSD11B1 (0.50) HSD11B1TRPA1TRPM8TRPV1LMNA
SCHEMBL26375409 0.66 HSD11B1 (0.50) HSD11B1TRPA1TRPM8TRPV1LMNA
SCHEMBL197671 0.66 HSD11B1 (0.56) HSD11B1TRPA1TRPM8TRPV1MAPK1
SCHEMBL2091137 0.65 MEN1 (0.56) HSD11B1TRPA1TRPM8TRPV1KMT2A
SCHEMBL9535487 0.65 HSD11B1 (0.50) HSD11B1TRPA1TRPM8TRPV1
SCHEMBL14881386 0.65 MAPK1 (0.45) HSD11B1TRPA1TRPM8TRPV1KMT2A
Hydrochloric Acid SCHEMBL29010139 0.64 HSD11B1 (0.54) HSD11B1TRPA1TRPM8TRPV1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353902-B1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP disclosed
US-5127936-A Substituted phenyltriazolopyrimidine herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
EP-0353902-A1 Substituted phenyltriazolopyrimidine herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP disclosed