SCHEMBL21742216

SCHEMBL21742216

CC(Cl)(c1ccccn1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AHR P35869 1/20 0.41
CHRM2 P08172 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
BLM P54132 2/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34

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
SCHEMBL21742292 0.83 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL21742383 0.81 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL21742080 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL3718198 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL30020222 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL10354999 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL13237137 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL16132511 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL21742132 0.79 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2TDP1
SCHEMBL10354472 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed